Molecule

Mitomycin

AlkaPlorer ID: AK001030

Synonym: None

IUPAC Name: [(4S,6S,7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Structure

SMILES: CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12

InChI: InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1

InChIKey: NWIBSHFKIJFRCO-WUDYKRTCSA-N

Reference

<b>The Structures of Mitomycins A, B and C and Porfiromycin--Part I</b>

PubChem CID: 5746

CAS: 1404-00-8

LOTUS: LTS0176580

SuperNatural Ⅲ: SN0256989-07

NPASS: NPC139867

{

NPAtlas: NPA020531

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cedrus deodara	Cedrus	Pinaceae	Pinales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Inula racemosa	Inula	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Eupatorium chinense	Eupatorium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Scoparia dulcis	Scoparia	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 334.33200000000005

TPSA？: 147.88000000000002

MolLogP？: -1.2371299999999978

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Acinetobacter baumannii	Acinetobacter baumannii	MIC	5000.0	nM	10.6019/CHEMBL4296182
Bacillus subtilis	Bacillus subtilis	Activity	nan	None	10.1021/jm301816a
Bacillus subtilis	Bacillus subtilis	IC50	300.0	nM	10.1016/j.ejmech.2016.03.042
Bacillus subtilis	Bacillus subtilis	IZ	22.8	mm	10.1021/jm00203a020
Bacillus subtilis	Bacillus subtilis	IZ	32.0	mm	10.1021/jm00203a020
Bacillus subtilis	Bacillus subtilis	IZ	nan	None	10.1021/jm00203a020
Bacillus subtilis	Bacillus subtilis	MBC	0.9	ug ml-1	10.1016/j.ejmech.2016.03.042
Bacillus subtilis	Bacillus subtilis	MIC	0.45	ug.mL-1	10.1016/j.ejmech.2016.03.042
Bos taurus	Progesterone receptor	IC50	nan	None	None
Bos taurus	Progesterone receptor	Ki	nan	None	None
Candida albicans	Candida albicans	MIC	500.0	ug.mL-1	10.1016/j.ejmech.2016.03.042
Candida albicans	Candida albicans	MIC	10000.0	nM	10.6019/CHEMBL4296182
Canis lupus familiaris	MDCK	Activity	7.0	%	10.1021/acs.jmedchem.0c00419
Canis lupus familiaris	MDCK	IC50	nan	None	10.1021/np0104525
Caulobacter vibrioides	Caulobacter vibrioides	Activity	5.0	%	10.1039/d2md00194b
Caulobacter vibrioides	Caulobacter vibrioides	Activity	10.0	%	10.1039/d2md00194b
Caulobacter vibrioides	Caulobacter vibrioides	Activity	nan	None	10.1039/d2md00194b
Caulobacter vibrioides	Caulobacter vibrioides	FC	2.0	None	10.1039/d2md00194b
Caulobacter vibrioides	Caulobacter vibrioides	FC	2.5	None	10.1039/d2md00194b
Cavia porcellus	Leukotriene C4 synthase	IC50	nan	None	None
Cavia porcellus	Leukotriene C4 synthase	Ki	nan	None	None
Cavia porcellus	Serotonin 4 (5-HT4) receptor	IC50	nan	None	None
Cavia porcellus	Serotonin 4 (5-HT4) receptor	Ki	nan	None	None
Chlorocebus sabaeus	Vero	IC50	nan	None	10.1021/np0104525
Cricetulus griseus	CHO-AA8	IC50	1.08	nM	10.1021/jm00121a007
Cricetulus griseus	CHO-K1	IC50	13.1	ug.mL-1	10.1016/j.ejmech.2019.05.082
Cricetulus griseus	CHO-K1	IC50	13200.0	nM	10.1016/j.bmcl.2017.06.004
Cricetulus griseus	CHO-K1	IC50	39800.0	nM	10.1021/acs.jnatprod.9b00475
Cricetulus griseus	DC3F	IC50	82.0	nM	10.1021/jm950881y
Cricetulus griseus	DC3F/AD-II	IC50	110.0	nM	10.1021/jm950881y
Cricetulus griseus	V79	C50	0.4	uM	10.1021/jm9608422
Cricetulus griseus	V79	C50	0.8	uM	10.1021/jm9608422
Cricetulus griseus	V79	HCR	2.0	None	10.1021/jm9608422
Cricetulus griseus	V79	IC50	400.0	nM	10.1021/jm00048a019
Cricetulus griseus	V79	IC50	800.0	nM	10.1021/jm00048a019
Cricetulus griseus	V79	Ratio	2.0	None	10.1021/jm00048a019
Cryptococcus neoformans	Cryptococcus neoformans	MIC	10000.0	nM	10.6019/CHEMBL4296182
Electrophorus electricus	Acetylcholinesterase	Inhibition	4.01	%	10.1016/j.bmc.2012.09.040
Equus caballus	Cholinesterase	Inhibition	3.34	%	10.1016/j.bmc.2012.09.040
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/jm00203a020
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/jm00216a006
Escherichia coli	Escherichia coli	EC50	nan	None	10.1016/j.bmc.2019.06.025
Escherichia coli	Escherichia coli	FC	0.9	None	10.1128/aac.00132-08
Escherichia coli	Escherichia coli	FC	1.0	None	10.1128/aac.00132-08
Escherichia coli	Escherichia coli	FC	2.0	None	10.1128/aac.00132-08
Escherichia coli	Escherichia coli	FC	2.6	None	10.1128/aac.00132-08
Escherichia coli	Escherichia coli	FC	2.8	None	10.1128/aac.00132-08
Escherichia coli	Escherichia coli	FC	7.9	None	10.1128/aac.00132-08
Escherichia coli	Escherichia coli	FC	8.2	None	10.1128/aac.00132-08
Escherichia coli	Escherichia coli	MIC	3.9	ug.mL-1	10.1016/j.ejmech.2016.03.042
Escherichia coli	Escherichia coli	MIC	1250.0	nM	10.6019/CHEMBL4296182
Homo sapiens	2008/R	IC50	nan	nM	10.1021/jm00114a003
Homo sapiens	2008/S	IC50	nan	nM	10.1021/jm00114a003
Homo sapiens	23132-87	IC50	30.53	nM	10.6019/CHEMBL1201861
Homo sapiens	5637	IC50	31.93	nM	10.6019/CHEMBL1201861
Homo sapiens	639-V	IC50	1.759	nM	10.6019/CHEMBL1201861
Homo sapiens	647-V	IC50	87.39	nM	10.6019/CHEMBL1201861
Homo sapiens	697	IC50	0.1283	nM	10.6019/CHEMBL1201861
Homo sapiens	769-P	IC50	7.112	nM	10.6019/CHEMBL1201861
Homo sapiens	786-0	GI50	210.0	nM	10.1021/acs.jmedchem.7b00833
Homo sapiens	786-0	GI50	403.65	nM	None
Homo sapiens	786-0	IC50	14.01	nM	10.6019/CHEMBL1201861
Homo sapiens	8305C	IC50	155.75	nM	10.6019/CHEMBL1201861
Homo sapiens	833K	IC50	328.0	nM	10.1021/jm950881y
Homo sapiens	8505C	IC50	429.83	nM	10.6019/CHEMBL1201861
Homo sapiens	8-MG-BA	IC50	104.0	nM	10.6019/CHEMBL1201861
Homo sapiens	A101D	IC50	257.45	nM	10.6019/CHEMBL1201861
Homo sapiens	A 172	IC50	537.52	nM	10.6019/CHEMBL1201861
Homo sapiens	A204	IC50	84.19	nM	10.6019/CHEMBL1201861
Homo sapiens	A204	ID50	20.0	ng ml-1	10.1021/jm00127a035
Homo sapiens	A2058	IC50	115.1	nM	10.6019/CHEMBL1201861
Homo sapiens	A253 cell line	IC50	345.64	nM	10.6019/CHEMBL1201861
Homo sapiens	A2780	IC50	50.0	nM	10.1016/s0960-894x(99)00663-0
Homo sapiens	A2780	IC50	100.0	nM	10.1021/jm00114a003
Homo sapiens	A2780	IC50	106.63	nM	10.6019/CHEMBL1201861
Homo sapiens	A2780	IC50	180.0	nM	10.1016/j.ejmech.2021.113256
Homo sapiens	A2780	IC50	180.0	nM	10.1016/j.ejmech.2022.114438
Homo sapiens	A2780	IC50	200.0	nM	10.1021/jm00114a003
Homo sapiens	A2780cisR	IC50	60.0	nM	10.1016/s0960-894x(99)00663-0
Homo sapiens	A-375	IC50	139.42	nM	10.6019/CHEMBL1201861
Homo sapiens	A388	IC50	207.22	nM	10.6019/CHEMBL1201861
Homo sapiens	A3-KAW	IC50	34.96	nM	10.6019/CHEMBL1201861
Homo sapiens	A-427	IC50	301.33	nM	10.6019/CHEMBL1201861
Homo sapiens	A-431	IC50	43.77	nM	10.6019/CHEMBL1201861
Homo sapiens	A498	GI50	714.5	nM	None
Homo sapiens	A498	IC50	376968.26	nM	10.6019/CHEMBL1201861
Homo sapiens	A4-Fuk	IC50	225.43	nM	10.6019/CHEMBL1201861
Homo sapiens	A549	Activity	2.4	ng/ml	10.1016/j.bmc.2012.10.010
Homo sapiens	A549	Activity	2.6	ng/ml	10.1016/j.bmc.2012.10.010
Homo sapiens	A549	Activity	3.3	ng/ml	10.1016/j.bmc.2012.10.010
Homo sapiens	A549	Activity	4.3	ng/ml	10.1016/j.bmc.2012.10.010
Homo sapiens	A549	Activity	nan	None	10.1007/s00044-012-0424-0
Homo sapiens	A549	EC50	430.0	nM	10.1016/j.bmc.2009.07.039
Homo sapiens	A549	EC50	430.0	nM	10.1016/j.bmcl.2007.10.005
Homo sapiens	A549	EC50	5200.0	nM	10.1016/j.bmcl.2015.10.048
Homo sapiens	A549	GI	34.0	%	10.1016/j.bmc.2011.09.060
Homo sapiens	A549	GI	40.0	%	10.1016/j.ejmech.2009.10.042
Homo sapiens	A549	GI	55.0	%	10.1016/j.bmcl.2008.07.095
Homo sapiens	A549	GI	70.0	%	10.1016/j.ejmech.2012.08.018
Homo sapiens	A549	GI	70.0	%	10.1016/j.ejmech.2013.05.029
Homo sapiens	A549	GI	nan	None	10.1007/s00044-012-0312-7
Homo sapiens	A549	GI	nan	None	10.1016/j.bmcl.2013.11.032
Homo sapiens	A549	GI50	80.0	nM	10.1021/acs.jmedchem.7b00833
Homo sapiens	A549	GI50	165.58	nM	None
Homo sapiens	A549	IC50	0.015	ug.mL-1	10.1021/jm00128a030
Homo sapiens	A549	IC50	0.02	ug.mL-1	10.1021/np020497l
Homo sapiens	A549	IC50	0.08	ug.mL-1	10.1021/jm00128a030
Homo sapiens	A549	IC50	0.08	ug.mL-1	10.1021/jm010090y
Homo sapiens	A549	IC50	0.47	ug.mL-1	10.1021/jm00128a030
Homo sapiens	A549	IC50	0.54	ug.mL-1	10.1021/np300742d
Homo sapiens	A549	IC50	40.0	nM	10.1016/j.ejmech.2014.09.049
Homo sapiens	A549	IC50	240.0	nM	10.1016/j.bmc.2007.11.019
Homo sapiens	A549	IC50	270.0	nM	10.1021/acs.jnatprod.9b00229
Homo sapiens	A549	IC50	300.0	nM	10.1021/np0500575
Homo sapiens	A549	IC50	400.0	nM	10.1007/s00044-012-0424-0
Homo sapiens	A549	IC50	400.0	nM	10.1016/j.bmc.2007.11.019
Homo sapiens	A549	IC50	400.0	nM	10.1016/j.bmc.2012.10.010
Homo sapiens	A549	IC50	400.0	nM	10.1016/j.ejmech.2008.07.013
Homo sapiens	A549	IC50	400.0	nM	10.1039/C3MD00055A
Homo sapiens	A549	IC50	450.0	nM	10.1016/j.bmcl.2014.09.085
Homo sapiens	A549	IC50	500.0	nM	10.1016/j.ejmech.2016.03.042
Homo sapiens	A549	IC50	630.0	nM	10.1016/j.ejmech.2021.113256
Homo sapiens	A549	IC50	630.0	nM	10.1016/j.ejmech.2022.114438
Homo sapiens	A549	IC50	1700.0	nM	10.1016/j.bmcl.2015.11.069
Homo sapiens	A549	IC50	2750.0	nM	10.1021/acs.jmedchem.1c01380
Homo sapiens	A549	IC50	3000.0	nM	10.1021/np300103w
Homo sapiens	A549	IC50	4500.0	nM	10.1016/j.bmc.2007.11.019
Homo sapiens	A549	IC50	11030.0	nM	10.1016/j.ejmech.2019.111897
Homo sapiens	A549	IC50	15525.0	nM	10.1016/j.ejmech.2017.03.055
Homo sapiens	A549	IC50	nan	None	10.1016/j.ejmech.2013.05.036
Homo sapiens	A673	IC50	789.6	nM	10.6019/CHEMBL1201861
Homo sapiens	A704	IC50	2383.11	nM	10.6019/CHEMBL1201861
Homo sapiens	ABC-1	IC50	61.2	nM	10.6019/CHEMBL1201861
Homo sapiens	Acetylcholinesterase	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Acetylcholinesterase	IC50	nan	None	None
Homo sapiens	Acetylcholinesterase	Ki	nan	None	None
Homo sapiens	ACHN	GI50	147.91	nM	None
Homo sapiens	ACHN	IC50	72.08	nM	10.6019/CHEMBL1201861
Homo sapiens	ACN	IC50	127.91	nM	10.6019/CHEMBL1201861
Homo sapiens	Adenosine A1 receptor	IC50	nan	None	None
Homo sapiens	Adenosine A1 receptor	Ki	nan	None	None
Homo sapiens	Adenosine A2a receptor	IC50	nan	None	None
Homo sapiens	Adenosine A2a receptor	Ki	nan	None	None
Homo sapiens	Adenosine A3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Adenosine A3 receptor	IC50	nan	None	None
Homo sapiens	Adenosine A3 receptor	Ki	nan	None	None
Homo sapiens	AGS	IC50	105.8	nM	10.6019/CHEMBL1201861
Homo sapiens	ALL-PO	IC50	30.98	nM	10.6019/CHEMBL1201861
Homo sapiens	Alpha-1a adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-1d adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-1d adrenergic receptor	Ki	nan	None	None
Homo sapiens	Alpha-2a adrenergic receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Alpha-2a adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-2a adrenergic receptor	Ki	nan	None	None
Homo sapiens	Alpha-2b adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-2b adrenergic receptor	Ki	nan	None	None
Homo sapiens	Alpha-2c adrenergic receptor	IC50	nan	None	None
Homo sapiens	Alpha-2c adrenergic receptor	Ki	nan	None	None
Homo sapiens	AM-38	IC50	221.16	nM	10.6019/CHEMBL1201861
Homo sapiens	AN3-CA	IC50	523.28	nM	10.6019/CHEMBL1201861
Homo sapiens	Androgen Receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Angiotensin II type 2 (AT-2) receptor	IC50	nan	None	None
Homo sapiens	Angiotensin II type 2 (AT-2) receptor	Ki	nan	None	None
Homo sapiens	ARH-77	IC50	243.31	nM	10.6019/CHEMBL1201861
Homo sapiens	ASPC1	IC50	2898.55	nM	10.6019/CHEMBL1201861
Homo sapiens	ATN-1	IC50	17.39	nM	10.6019/CHEMBL1201861
Homo sapiens	AU565	IC50	500.96	nM	10.6019/CHEMBL1201861
Homo sapiens	BB30-HNC	IC50	30.61	nM	10.6019/CHEMBL1201861
Homo sapiens	BB49-HNC	IC50	352.52	nM	10.6019/CHEMBL1201861
Homo sapiens	BB65-RCC	IC50	144.71	nM	10.6019/CHEMBL1201861
Homo sapiens	BC-3	IC50	212.08	nM	10.6019/CHEMBL1201861
Homo sapiens	Bcap37	IC50	2.33	ug.mL-1	10.1016/j.bmcl.2006.01.021
Homo sapiens	BCPAP	IC50	239.6	nM	10.6019/CHEMBL1201861
Homo sapiens	BE-13	IC50	0.1673	nM	10.6019/CHEMBL1201861
Homo sapiens	Becker	IC50	862.32	nM	10.6019/CHEMBL1201861
Homo sapiens	BEN	IC50	935.16	nM	10.6019/CHEMBL1201861
Homo sapiens	Beta-1 adrenergic receptor	IC50	nan	None	None
Homo sapiens	Beta-1 adrenergic receptor	Ki	nan	None	None
Homo sapiens	Beta-2 adrenergic receptor	IC50	nan	None	None
Homo sapiens	Beta-2 adrenergic receptor	Ki	nan	None	None
Homo sapiens	Beta-3 adrenergic receptor	IC50	nan	None	None
Homo sapiens	Beta-3 adrenergic receptor	Ki	nan	None	None
Homo sapiens	BeWo	IC50	0.85	ug.mL-1	10.1021/jm020119d
Homo sapiens	BeWo	IC50	60.0	nM	10.1021/acs.jmedchem.5b01380
Homo sapiens	BFTC-905	IC50	92.69	nM	10.6019/CHEMBL1201861
Homo sapiens	BFTC-909	IC50	85.27	nM	10.6019/CHEMBL1201861
Homo sapiens	BHT-101	IC50	1740.29	nM	10.6019/CHEMBL1201861
Homo sapiens	BHY	IC50	75.28	nM	10.6019/CHEMBL1201861
Homo sapiens	BL-41	IC50	294.9	nM	10.6019/CHEMBL1201861
Homo sapiens	BL-70	IC50	1276.67	nM	10.6019/CHEMBL1201861
Homo sapiens	BOKU	IC50	103.78	nM	10.6019/CHEMBL1201861
Homo sapiens	BPH-1	IC50	29.9	nM	10.6019/CHEMBL1201861
Homo sapiens	Bradykinin B2 receptor	IC50	nan	None	None
Homo sapiens	Bradykinin B2 receptor	Ki	nan	None	None
Homo sapiens	BT-20	IC50	311.97	nM	10.6019/CHEMBL1201861
Homo sapiens	BT-474	IC50	2623.26	nM	10.6019/CHEMBL1201861
Homo sapiens	BT-549	GI50	1745.82	nM	None
Homo sapiens	BV-173	IC50	6.067	nM	10.6019/CHEMBL1201861
Homo sapiens	BXPC-3	GI50	380.0	nM	10.1021/acs.jmedchem.7b00833
Homo sapiens	BXPC-3	IC50	774.78	nM	10.6019/CHEMBL1201861
Homo sapiens	C2BBe1	IC50	9284.0	nM	10.6019/CHEMBL1201861
Homo sapiens	C32	IC50	1528.34	nM	10.6019/CHEMBL1201861
Homo sapiens	C-33-A	IC50	486.87	nM	10.6019/CHEMBL1201861
Homo sapiens	C3A	IC50	194.31	nM	10.6019/CHEMBL1201861
Homo sapiens	C-4-II	IC50	103.51	nM	10.6019/CHEMBL1201861
Homo sapiens	C8166	IC50	932.32	nM	10.6019/CHEMBL1201861
Homo sapiens	CA46	IC50	1019.8	nM	10.6019/CHEMBL1201861
Homo sapiens	Ca9-22	IC50	155.57	nM	10.6019/CHEMBL1201861
Homo sapiens	Caco-2	Activity	33.4	%	10.1021/acs.jmedchem.0c00419
Homo sapiens	Caco-2	Activity	nan	None	10.1007/s00044-012-0424-0
Homo sapiens	Caco-2	IC50	5800.0	nM	10.1021/acs.jnatprod.9b00229
Homo sapiens	Caco-2	IC50	nan	None	10.1007/s00044-012-0424-0
Homo sapiens	CAKI-1	GI50	267.92	nM	None
Homo sapiens	CAKI-1	IC50	23.32	nM	10.6019/CHEMBL1201861
Homo sapiens	CAKI-1	IC50	40.0	nM	10.1021/jm040137q
Homo sapiens	CAKI-1	IC50	251.0	nM	10.1021/jm040137q
Homo sapiens	CAL-120	IC50	5963.51	nM	10.6019/CHEMBL1201861
Homo sapiens	CAL-12T	IC50	491.25	nM	10.6019/CHEMBL1201861
Homo sapiens	CAL-148	IC50	17.83	nM	10.6019/CHEMBL1201861
Homo sapiens	CAL-27	IC50	41.18	nM	10.6019/CHEMBL1201861
Homo sapiens	CAL-33	IC50	536.53	nM	10.6019/CHEMBL1201861
Homo sapiens	CAL-39	IC50	46.49	nM	10.6019/CHEMBL1201861
Homo sapiens	CAL-51	IC50	30.86	nM	10.6019/CHEMBL1201861
Homo sapiens	CAL-54	IC50	1841.48	nM	10.6019/CHEMBL1201861
Homo sapiens	CAL-62	IC50	241.85	nM	10.6019/CHEMBL1201861
Homo sapiens	CAL-72	IC50	46733.86	nM	10.6019/CHEMBL1201861
Homo sapiens	CAL-85-1	IC50	65.88	nM	10.6019/CHEMBL1201861
Homo sapiens	Calcitonin receptor	IC50	nan	None	None
Homo sapiens	Calcitonin receptor	Ki	nan	None	None
Homo sapiens	Calu-1	IC50	4807.2	nM	10.6019/CHEMBL1201861
Homo sapiens	Calu-3	IC50	320.95	nM	10.6019/CHEMBL1201861
Homo sapiens	Calu-6	IC50	319.71	nM	10.6019/CHEMBL1201861
Homo sapiens	CAMA-1	IC50	540.59	nM	10.6019/CHEMBL1201861
Homo sapiens	Cannabinoid CB1 receptor	IC50	nan	None	None
Homo sapiens	Cannabinoid CB1 receptor	Ki	nan	None	None
Homo sapiens	Caov-3 cell line	IC50	161.72	nM	10.6019/CHEMBL1201861
Homo sapiens	CAPAN-1	IC50	116.4	nM	10.6019/CHEMBL1201861
Homo sapiens	Capan-2	IC50	2785.28	nM	10.6019/CHEMBL1201861
Homo sapiens	CaR-1	IC50	468.78	nM	10.6019/CHEMBL1201861
Homo sapiens	Carbonic anhydrase II	IC50	nan	None	None
Homo sapiens	Carbonic anhydrase II	Ki	nan	None	None
Homo sapiens	CAS-1	IC50	3381.85	nM	10.6019/CHEMBL1201861
Homo sapiens	Ca-Ski	IC50	53.75	nM	10.6019/CHEMBL1201861
Homo sapiens	Ca-Ski	IC50	10000.0	nM	10.1021/acs.jnatprod.7b00693
Homo sapiens	Caspase-1	IC50	nan	None	None
Homo sapiens	Caspase-1	Ki	nan	None	None
Homo sapiens	Cathepsin G	IC50	nan	None	None
Homo sapiens	Cathepsin G	Ki	nan	None	None
Homo sapiens	C-C chemokine receptor type 2	IC50	nan	None	None
Homo sapiens	C-C chemokine receptor type 2	Ki	nan	None	None
Homo sapiens	C-C chemokine receptor type 4	IC50	nan	None	None
Homo sapiens	C-C chemokine receptor type 4	Ki	nan	None	None
Homo sapiens	C-C chemokine receptor type 5	IC50	nan	None	None
Homo sapiens	C-C chemokine receptor type 5	Ki	nan	None	None
Homo sapiens	CCD 19Lu	IC50	2.0	ug.mL-1	10.1016/S0960-894X(97)00071-1
Homo sapiens	CCF-STTG1	IC50	215.59	nM	10.6019/CHEMBL1201861
Homo sapiens	CCRF-CEM	GI50	229.09	nM	None
Homo sapiens	CCRF-CEM	IC50	0.02	ug.mL-1	10.1016/S0960-894X(97)00071-1
Homo sapiens	CCRF-CEM	IC50	61.68	nM	10.6019/CHEMBL1201861
Homo sapiens	CESS	IC50	225.4	nM	10.6019/CHEMBL1201861
Homo sapiens	CGTH-W-1	IC50	38.74	nM	10.6019/CHEMBL1201861
Homo sapiens	CH1	IC50	40.0	nM	10.1016/s0960-894x(99)00663-0
Homo sapiens	ChaGo-K-1	IC50	1910.33	nM	10.6019/CHEMBL1201861
Homo sapiens	CHL-1	IC50	225.16	nM	10.6019/CHEMBL1201861
Homo sapiens	Cholecystokinin A receptor	IC50	nan	None	None
Homo sapiens	Cholecystokinin A receptor	Ki	nan	None	None
Homo sapiens	CHP-126	IC50	72.44	nM	10.6019/CHEMBL1201861
Homo sapiens	CHP-212	IC50	4.368	nM	10.6019/CHEMBL1201861
Homo sapiens	CMK	IC50	5.827	nM	10.6019/CHEMBL1201861
Homo sapiens	CNE-2	IC50	10000.0	nM	10.1021/acs.jnatprod.7b00693
Homo sapiens	COLO 205	GI	4.0	%	10.1016/j.ejmech.2009.10.042
Homo sapiens	COLO 205	GI	41.0	%	10.1016/j.bmcl.2008.07.048
Homo sapiens	COLO 205	GI	43.0	%	10.1016/j.bmcl.2011.10.112
Homo sapiens	COLO 205	GI	44.0	%	10.1016/j.ejmech.2009.11.001
Homo sapiens	COLO 205	GI	nan	None	10.1007/s00044-012-0312-7
Homo sapiens	COLO 205	GI50	1020.94	nM	None
Homo sapiens	COLO 205	IC50	14.33	nM	10.6019/CHEMBL1201861
Homo sapiens	COLO 205	IC50	nan	None	10.1007/s00044-010-9500-5
Homo sapiens	COLO 205	Inhibition	56.27	%	10.1016/j.bmcl.2010.10.100
Homo sapiens	COLO-320-HSR	IC50	1079.2	nM	10.6019/CHEMBL1201861
Homo sapiens	COLO-668	IC50	7.545	nM	10.6019/CHEMBL1201861
Homo sapiens	COLO-678	IC50	2886.91	nM	10.6019/CHEMBL1201861
Homo sapiens	COLO-679	IC50	90.25	nM	10.6019/CHEMBL1201861
Homo sapiens	COLO-680N	IC50	244.1	nM	10.6019/CHEMBL1201861
Homo sapiens	COLO-684	IC50	799.3	nM	10.6019/CHEMBL1201861
Homo sapiens	COLO-741	IC50	2199.28	nM	10.6019/CHEMBL1201861
Homo sapiens	COLO-792	IC50	1502.64	nM	10.6019/CHEMBL1201861
Homo sapiens	COLO-800	IC50	78.66	nM	10.6019/CHEMBL1201861
Homo sapiens	COLO-824	IC50	1444.61	nM	10.6019/CHEMBL1201861
Homo sapiens	COLO-829	IC50	2086.84	nM	10.6019/CHEMBL1201861
Homo sapiens	COR-L105	IC50	1613.17	nM	10.6019/CHEMBL1201861
Homo sapiens	COR-L23	IC50	240.94	nM	10.6019/CHEMBL1201861
Homo sapiens	COR-L279	IC50	5.545	nM	10.6019/CHEMBL1201861
Homo sapiens	COR-L88	IC50	319.14	nM	10.6019/CHEMBL1201861
Homo sapiens	CP50-MEL-B	IC50	780.03	nM	10.6019/CHEMBL1201861
Homo sapiens	CP66-MEL	IC50	644.95	nM	10.6019/CHEMBL1201861
Homo sapiens	CPC-N	IC50	380.66	nM	10.6019/CHEMBL1201861
Homo sapiens	CTB-1	IC50	306.37	nM	10.6019/CHEMBL1201861
Homo sapiens	CTV-1	IC50	18.67	nM	10.6019/CHEMBL1201861
Homo sapiens	CW-2	IC50	7727.58	nM	10.6019/CHEMBL1201861
Homo sapiens	CWR22R	IC50	144.07	nM	10.6019/CHEMBL1201861
Homo sapiens	Cyclooxygenase-1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cyclooxygenase-1	IC50	nan	None	None
Homo sapiens	Cyclooxygenase-1	Ki	nan	None	None
Homo sapiens	Cyclooxygenase-2	IC50	nan	None	None
Homo sapiens	Cyclooxygenase-2	Ki	nan	None	None
Homo sapiens	Cysteinyl leukotriene receptor 1	IC50	nan	None	None
Homo sapiens	Cysteinyl leukotriene receptor 1	Ki	nan	None	None
Homo sapiens	Cytochrome P450 1A2	IC50	nan	None	None
Homo sapiens	Cytochrome P450 1A2	Inhibition	nan	%	10.1021/tx300075j
Homo sapiens	Cytochrome P450 1A2	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2A6	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2A6	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2C19	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	Inhibition	nan	%	10.1021/tx300075j
Homo sapiens	Cytochrome P450 2C19	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2C9	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	Inhibition	nan	%	10.1021/tx300075j
Homo sapiens	Cytochrome P450 2C9	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2D6	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	Inhibition	nan	%	10.1021/tx300075j
Homo sapiens	Cytochrome P450 2D6	Ki	nan	None	None
Homo sapiens	Cytochrome P450 2E1	IC50	nan	None	None
Homo sapiens	Cytochrome P450 2E1	Ki	nan	None	None
Homo sapiens	Cytochrome P450 3A4	IC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	Inhibition	nan	%	10.1021/tx300075j
Homo sapiens	Cytochrome P450 3A4	Ki	nan	None	None
Homo sapiens	D-263MG	IC50	540.04	nM	10.6019/CHEMBL1201861
Homo sapiens	D283 Med	IC50	220.69	nM	10.6019/CHEMBL1201861
Homo sapiens	D-392MG	IC50	6684.51	nM	10.6019/CHEMBL1201861
Homo sapiens	D-502MG	IC50	84724.26	nM	10.6019/CHEMBL1201861
Homo sapiens	D-542MG	IC50	601.65	nM	10.6019/CHEMBL1201861
Homo sapiens	Daoy	ED50	0.08	ug ml-1	10.1016/j.bmcl.2012.05.002
Homo sapiens	Daoy	ED50	0.1	ug ml-1	10.1016/j.bmc.2010.10.032
Homo sapiens	Daoy	ED50	0.14	ug ml-1	10.1016/j.bmc.2010.01.036
Homo sapiens	Daoy	ED50	0.21	uM	10.1021/np8005327
Homo sapiens	Daoy	IC50	0.05	ug.mL-1	10.1016/j.bmcl.2011.09.052
Homo sapiens	Daoy	IC50	88.01	nM	10.6019/CHEMBL1201861
Homo sapiens	Daudi	IC50	392.42	nM	10.6019/CHEMBL1201861
Homo sapiens	Daudi	IC50	450.0	nM	10.1016/j.bmc.2009.12.073
Homo sapiens	DB	IC50	429.95	nM	10.6019/CHEMBL1201861
Homo sapiens	DBTRG-05MG	IC50	570.26	nM	10.6019/CHEMBL1201861
Homo sapiens	DEL	IC50	48.39	nM	10.6019/CHEMBL1201861
Homo sapiens	Delta opioid receptor	IC50	nan	None	None
Homo sapiens	Delta opioid receptor	Ki	nan	None	None
Homo sapiens	Detroit 562	IC50	170.26	nM	10.6019/CHEMBL1201861
Homo sapiens	DG-75	IC50	6249.4	nM	10.6019/CHEMBL1201861
Homo sapiens	DJM-1	IC50	1033.04	nM	10.6019/CHEMBL1201861
Homo sapiens	DK-MG	IC50	21667.01	nM	10.6019/CHEMBL1201861
Homo sapiens	DLD-1	ED50	0.1	ug ml-1	10.1021/np058063o
Homo sapiens	DLD-1	GI50	2798.98	nM	None
Homo sapiens	DMS-114	GI50	421.7	nM	None
Homo sapiens	DMS-114	IC50	2086.92	nM	10.6019/CHEMBL1201861
Homo sapiens	DMS-153	IC50	425.26	nM	10.6019/CHEMBL1201861
Homo sapiens	DMS-273	GI50	104.23	nM	None
Homo sapiens	DMS-273	IC50	160.83	nM	10.6019/CHEMBL1201861
Homo sapiens	DMS-53	IC50	808.56	nM	10.6019/CHEMBL1201861
Homo sapiens	DMS-79	IC50	2471.63	nM	10.6019/CHEMBL1201861
Homo sapiens	DNA-(apurinic or apyrimidinic site) lyase	Potency	35481.3	nM	None
Homo sapiens	DNA polymerase iota	Potency	89125.1	nM	None
Homo sapiens	DOHH-2	IC50	93.83	nM	10.6019/CHEMBL1201861
Homo sapiens	DOK	IC50	5155.1	nM	10.6019/CHEMBL1201861
Homo sapiens	Dopamine D1 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D1 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D1 receptor	Ki	nan	None	None
Homo sapiens	Dopamine D2 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D2 receptor	Ki	nan	None	None
Homo sapiens	Dopamine D3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D3 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D3 receptor	Ki	nan	None	None
Homo sapiens	Dopamine D4 receptor	IC50	nan	None	None
Homo sapiens	Dopamine D4 receptor	Ki	nan	None	None
Homo sapiens	Dopamine transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine transporter	IC50	nan	None	None
Homo sapiens	Dopamine transporter	Ki	nan	None	None
Homo sapiens	DoTc2-4510	IC50	180.37	nM	10.6019/CHEMBL1201861
Homo sapiens	DSH1	IC50	96.53	nM	10.6019/CHEMBL1201861
Homo sapiens	DU-145	GI	44.0	%	10.1016/j.bmc.2011.09.060
Homo sapiens	DU-145	GI	48.0	%	10.1016/j.bmcl.2011.10.112
Homo sapiens	DU-145	GI	63.0	%	10.1016/j.bmcl.2008.07.095
Homo sapiens	DU-145	GI50	158.49	nM	None
Homo sapiens	DU-145	IC50	6.519	nM	10.6019/CHEMBL1201861
Homo sapiens	DU-145	IC50	170.0	nM	10.1016/j.bmc.2012.03.063
Homo sapiens	DU-145	IC50	170.0	nM	10.1016/j.ejmech.2010.05.025
Homo sapiens	DU-145	IC50	1800.0	nM	10.1007/s00044-010-9500-5
Homo sapiens	DU-145	IC50	nan	None	10.1016/j.bmcl.2017.06.004
Homo sapiens	DU-145	Inhibition	56.0	%	10.1016/j.bmcl.2007.10.011
Homo sapiens	DU-4475	IC50	47.47	nM	10.6019/CHEMBL1201861
Homo sapiens	DV-90	IC50	2921.43	nM	10.6019/CHEMBL1201861
Homo sapiens	EB2	IC50	65.36	nM	10.6019/CHEMBL1201861
Homo sapiens	EB-3	IC50	3197.68	nM	10.6019/CHEMBL1201861
Homo sapiens	ECC4	IC50	5070.36	nM	10.6019/CHEMBL1201861
Homo sapiens	EC-GI-10	IC50	14913.25	nM	10.6019/CHEMBL1201861
Homo sapiens	EFE-184	IC50	1381.25	nM	10.6019/CHEMBL1201861
Homo sapiens	EFM-19	IC50	2088.96	nM	10.6019/CHEMBL1201861
Homo sapiens	EFO-21	IC50	591.14	nM	10.6019/CHEMBL1201861
Homo sapiens	EFO-27	IC50	1131.22	nM	10.6019/CHEMBL1201861
Homo sapiens	EGI-1	IC50	2390.59	nM	10.6019/CHEMBL1201861
Homo sapiens	EHEB	IC50	672.13	nM	10.6019/CHEMBL1201861
Homo sapiens	EKVX	GI50	4623.81	nM	None
Homo sapiens	EKVX	IC50	893.0	nM	10.6019/CHEMBL1201861
Homo sapiens	EM-2	IC50	1033.74	nM	10.6019/CHEMBL1201861
Homo sapiens	Endothelin receptor ET-A	IC50	nan	None	None
Homo sapiens	Endothelin receptor ET-A	Ki	nan	None	None
Homo sapiens	EOL1	IC50	162.39	nM	10.6019/CHEMBL1201861
Homo sapiens	Epidermal growth factor receptor erbB1	IC50	nan	None	None
Homo sapiens	Epidermal growth factor receptor erbB1	Ki	nan	None	None
Homo sapiens	ES1	IC50	7.288	nM	10.6019/CHEMBL1201861
Homo sapiens	ES3	IC50	7.882	nM	10.6019/CHEMBL1201861
Homo sapiens	ES4	IC50	1.555	nM	10.6019/CHEMBL1201861
Homo sapiens	ES5	IC50	102.42	nM	10.6019/CHEMBL1201861
Homo sapiens	ES6	IC50	745.62	nM	10.6019/CHEMBL1201861
Homo sapiens	ES7	IC50	3.653	nM	10.6019/CHEMBL1201861
Homo sapiens	ES8	IC50	1.712	nM	10.6019/CHEMBL1201861
Homo sapiens	ESS-1	IC50	13.92	nM	10.6019/CHEMBL1201861
Homo sapiens	Estrogen receptor alpha	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Estrogen receptor alpha	IC50	nan	None	None
Homo sapiens	Estrogen receptor alpha	Ki	nan	None	None
Homo sapiens	Estrogen receptor beta	IC50	nan	None	None
Homo sapiens	Estrogen receptor beta	Ki	nan	None	None
Homo sapiens	ETK-1	IC50	108.24	nM	10.6019/CHEMBL1201861
Homo sapiens	EVSA-T	IC50	1573.68	nM	10.6019/CHEMBL1201861
Homo sapiens	EW-1	IC50	88.07	nM	10.6019/CHEMBL1201861
Homo sapiens	EW-11	IC50	513.36	nM	10.6019/CHEMBL1201861
Homo sapiens	EW-13	IC50	52.51	nM	10.6019/CHEMBL1201861
Homo sapiens	EW-16	IC50	0.31	nM	10.6019/CHEMBL1201861
Homo sapiens	EW-18	IC50	3938.8	nM	10.6019/CHEMBL1201861
Homo sapiens	EW-24	IC50	782.97	nM	10.6019/CHEMBL1201861
Homo sapiens	EW-3	IC50	61.95	nM	10.6019/CHEMBL1201861
Homo sapiens	EW-7	IC50	12.14	nM	10.6019/CHEMBL1201861
Homo sapiens	FaDu	IC50	128.29	nM	10.6019/CHEMBL1201861
Homo sapiens	FTC-133	IC50	517.22	nM	10.6019/CHEMBL1201861
Homo sapiens	G-361	IC50	123.93	nM	10.6019/CHEMBL1201861
Homo sapiens	G-401	IC50	634.47	nM	10.6019/CHEMBL1201861
Homo sapiens	G-402	IC50	85.92	nM	10.6019/CHEMBL1201861
Homo sapiens	GAK	IC50	596.24	nM	10.6019/CHEMBL1201861
Homo sapiens	GAMG	IC50	428.21	nM	10.6019/CHEMBL1201861
Homo sapiens	GB-1	IC50	452.18	nM	10.6019/CHEMBL1201861
Homo sapiens	GCIY	IC50	410.99	nM	10.6019/CHEMBL1201861
Homo sapiens	GCT	IC50	4604.7	nM	10.6019/CHEMBL1201861
Homo sapiens	GDM-1	IC50	377.46	nM	10.6019/CHEMBL1201861
Homo sapiens	Geminin	Potency	10322.5	nM	None
Homo sapiens	GES1	IC50	21120.0	nM	10.1016/j.ejmech.2019.111897
Homo sapiens	GI-1	IC50	35.16	nM	10.6019/CHEMBL1201861
Homo sapiens	GI-ME-N	IC50	1390.89	nM	10.6019/CHEMBL1201861
Homo sapiens	Glucocorticoid receptor	IC50	nan	None	None
Homo sapiens	Glucocorticoid receptor	Ki	nan	None	None
Homo sapiens	GMS-10	IC50	3838.07	nM	10.6019/CHEMBL1201861
Homo sapiens	GOTO	IC50	553.71	nM	10.6019/CHEMBL1201861
Homo sapiens	GP5d	IC50	84.0	nM	10.6019/CHEMBL1201861
Homo sapiens	GR-ST	IC50	121.34	nM	10.6019/CHEMBL1201861
Homo sapiens	GT3TKB	IC50	318.23	nM	10.6019/CHEMBL1201861
Homo sapiens	H2987 cell line	IC50	1600.0	nM	10.1021/jm970108y
Homo sapiens	H4	IC50	12.44	nM	10.6019/CHEMBL1201861
Homo sapiens	HAL-01	IC50	15.73	nM	10.6019/CHEMBL1201861
Homo sapiens	HC-1	IC50	156.51	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC1143	IC50	1066.4	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC1187	IC50	8921.3	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC1395	IC50	1057.54	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC1419	IC50	3484.02	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC1569	IC50	644.61	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC1599	IC50	120.17	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC1806	IC50	134.54	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC1937	IC50	593.82	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC1954	IC50	2281.19	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC2157	IC50	726.85	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC2218	IC50	588.82	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC 2998	GI50	613.76	nM	None
Homo sapiens	HCC 2998	IC50	160.13	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC38	IC50	604.11	nM	10.6019/CHEMBL1201861
Homo sapiens	HCC70	IC50	694.33	nM	10.6019/CHEMBL1201861
Homo sapiens	HCE-4	IC50	57.94	nM	10.6019/CHEMBL1201861
Homo sapiens	HCE-T	IC50	371.53	nM	10.6019/CHEMBL1201861
Homo sapiens	HCT-116	GI50	200.0	nM	10.1021/acs.jmedchem.7b00833
Homo sapiens	HCT-116	GI50	701.46	nM	None
Homo sapiens	HCT-116	IC50	0.01	ug.mL-1	10.1021/jm00128a030
Homo sapiens	HCT-116	IC50	0.015	ug.mL-1	10.1021/jm00128a030
Homo sapiens	HCT-116	IC50	1.1	ug.mL-1	10.1021/jm00128a030
Homo sapiens	HCT-116	IC50	500.0	nM	10.1016/j.ejmech.2013.01.003
Homo sapiens	HCT-116	IC50	550.0	nM	10.1021/acs.jmedchem.1c01380
Homo sapiens	HCT-116	IC50	560.0	nM	10.1016/j.ejmech.2021.113256
Homo sapiens	HCT-116	IC50	560.0	nM	10.1016/j.ejmech.2022.114438
Homo sapiens	HCT-116	IC50	1015.02	nM	10.6019/CHEMBL1201861
Homo sapiens	HCT-116	IC50	11030.0	nM	10.1016/j.ejmech.2019.111897
Homo sapiens	HCT-15	GI	25.0	%	10.1016/j.ejmech.2009.10.042
Homo sapiens	HCT-15	GI	76.0	%	10.1016/j.ejmech.2013.03.028
Homo sapiens	HCT-15	GI50	1291.22	nM	None
Homo sapiens	HCT-15	IC50	70.0	nM	10.1016/j.bmcl.2003.12.046
Homo sapiens	HCT-15	IC50	464.62	nM	10.6019/CHEMBL1201861
Homo sapiens	HCT-15	IG50	1.6	uM	10.1016/j.bmcl.2005.11.072
Homo sapiens	HCT-8	Activity	14.1	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	14.6	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	19.2	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	22.8	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	28.2	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	36.3	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	36.9	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	40.3	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	42.7	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	42.8	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	43.2	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	43.6	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	44.0	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	49.1	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	52.6	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	71.2	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	71.44	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	99.0	%	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	Activity	nan	None	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	IC50	0.15	ug.mL-1	10.1021/jm010090y
Homo sapiens	HCT-8	IC50	83.0	nM	10.1016/j.bmc.2008.09.055
Homo sapiens	HCT-8	IC50	600.0	nM	10.1021/np0500575
Homo sapiens	HCT-8	IC90	5700.0	nM	10.1016/j.bmc.2008.09.055
Homo sapiens	HDLM-2	IC50	1460.1	nM	10.6019/CHEMBL1201861
Homo sapiens	HD-MY-Z	IC50	640.25	nM	10.6019/CHEMBL1201861
Homo sapiens	HEC-1	IC50	698.24	nM	10.6019/CHEMBL1201861
Homo sapiens	HEK293	CC50	9020.0	nM	10.6019/CHEMBL4296182
Homo sapiens	HEL	IC50	35.8	nM	10.6019/CHEMBL1201861
Homo sapiens	HeLa	ED50	0.13	ug ml-1	10.1016/j.bmcl.2012.05.002
Homo sapiens	HeLa	ED50	0.2	ug ml-1	10.1016/j.bmc.2010.10.032
Homo sapiens	HeLa	GI	nan	None	10.1016/j.bmcl.2013.11.032
Homo sapiens	HeLa	IC50	0.01	ug.mL-1	10.1021/np970573y
Homo sapiens	HeLa	IC50	0.015	ug.mL-1	10.1021/np020497l
Homo sapiens	HeLa	IC50	0.06	ug.mL-1	10.1016/j.bmcl.2011.09.052
Homo sapiens	HeLa	IC50	68.0	nM	10.1021/np0104525
Homo sapiens	HeLa	IC50	200.0	nM	10.1016/j.ejmech.2021.113256
Homo sapiens	HeLa	IC50	200.0	nM	10.1016/j.ejmech.2022.114438
Homo sapiens	HeLa	IC50	270.0	nM	10.1016/j.bmc.2012.03.063
Homo sapiens	HeLa	IC50	270.0	nM	10.1016/j.ejmech.2010.05.025
Homo sapiens	HeLa	IC50	590.0	nM	10.1021/jm00038a009
Homo sapiens	HeLa	IC50	810.0	nM	10.1021/jm00093a010
Homo sapiens	HeLa	IC50	1100.0	nM	10.1021/jm00038a008
Homo sapiens	HeLa	IC50	1130.0	nM	10.1016/j.bmcl.2018.02.022
Homo sapiens	HeLa	IC50	1400.0	nM	10.1021/jm00038a008
Homo sapiens	HeLa	IC50	1870.0	nM	10.1016/j.bmc.2015.10.028
Homo sapiens	HeLa	IC50	2000.0	nM	10.1016/j.bmcl.2014.08.010
Homo sapiens	HeLa	IC50	2000.0	nM	10.1016/j.ejmech.2013.08.017
Homo sapiens	HeLa	IC50	3000.0	nM	10.1021/np5003302
Homo sapiens	HeLa	IC50	3300.0	nM	10.1021/np900120q
Homo sapiens	HeLa	IC50	3400.0	nM	10.1021/np200693z
Homo sapiens	HeLa	IC50	nan	None	10.1016/j.bmcl.2017.06.004
Homo sapiens	HeLa	IC50 ratio	0.49	None	10.1021/jm00016a005
Homo sapiens	HeLa	Inhibition	56.48	%	10.1016/j.bmcl.2010.10.100
Homo sapiens	HeLa	MNTC	2.0	uM	10.1016/0960-894X(96)00418-0
Homo sapiens	HeLa S3	IC50	520.0	nM	10.1021/acs.jnatprod.2c00440
Homo sapiens	HEp-2	ED50	0.07	ug ml-1	10.1016/j.bmc.2010.01.036
Homo sapiens	HEp-2	ED50	0.1	ug ml-1	10.1016/j.bmc.2010.10.032
Homo sapiens	HEp-2	ED50	0.12	ug ml-1	10.1016/j.bmcl.2012.05.002
Homo sapiens	HEp-2	GI	7.0	%	10.1016/j.bmc.2011.09.060
Homo sapiens	HEp-2	GI	31.0	%	10.1016/j.bmcl.2011.03.043
Homo sapiens	HEp-2	GI	58.0	%	10.1016/j.bmcl.2011.10.112
Homo sapiens	HEp-2	GI	58.0	%	10.1016/j.ejmech.2009.10.042
Homo sapiens	HEp-2	GI	60.0	%	10.1016/j.bmcl.2008.07.048
Homo sapiens	HEp-2	GI	68.0	%	10.1016/j.ejmech.2013.03.028
Homo sapiens	HEp-2	GI	78.0	%	10.1016/j.ejmech.2011.12.018
Homo sapiens	HEp-2	IC50	1500.0	nM	10.1016/j.ejmech.2009.11.001
Homo sapiens	HEp-2	IC50	nan	None	10.1007/s00044-010-9500-5
Homo sapiens	Hepatocyte	EC50	1460.0	nM	10.1016/j.bmc.2009.07.039
Homo sapiens	HepG2	Activity	0.7	%	10.1021/acs.jmedchem.0c00419
Homo sapiens	HepG2	IC50	0.14	ug.mL-1	10.1021/np300742d
Homo sapiens	HepG2	IC50	0.36	ug.mL-1	10.1021/jm010090y
Homo sapiens	HepG2	IC50	130.0	nM	10.1021/acs.jmedchem.0c02026
Homo sapiens	HepG2	IC50	270.0	nM	10.1016/0960-894X(96)00418-0
Homo sapiens	HepG2	IC50	2270.0	nM	10.1021/acs.jmedchem.1c01380
Homo sapiens	HepG2	IC50	2937.0	nM	10.1016/j.bmc.2015.10.028
Homo sapiens	HepG2	IC50	5400.0	nM	10.1021/np1004505
Homo sapiens	HepG2	IC50	10000.0	nM	10.1021/acs.jnatprod.7b00693
Homo sapiens	HepG2	IC50	32630.0	nM	10.1016/j.ejmech.2019.111897
Homo sapiens	HepG2	MNTC	0.7	uM	10.1016/0960-894X(96)00418-0
Homo sapiens	HERG	IC50	nan	None	None
Homo sapiens	HERG	Ki	nan	None	None
Homo sapiens	HFF	Activity	25.8	%	10.1021/acs.jmedchem.0c00419
Homo sapiens	HGC-27	IC50	49.29	nM	10.6019/CHEMBL1201861
Homo sapiens	HH	IC50	1073.8	nM	10.6019/CHEMBL1201861
Homo sapiens	Histamine H1 receptor	IC50	nan	None	None
Homo sapiens	Histamine H1 receptor	Ki	nan	None	None
Homo sapiens	Histamine H2 receptor	IC50	nan	None	None
Homo sapiens	Histamine H2 receptor	Ki	nan	None	None
Homo sapiens	Histamine H3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Histone deacetylase 6	Inhibition	4.21	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	35.79	%	10.6019/CHEMBL4808148
Homo sapiens	HL-60	GI50	203.7	nM	None
Homo sapiens	HL-60	IC50	50.0	nM	10.1021/jm950881y
Homo sapiens	HL-60	IC50	100.0	nM	10.1021/np200788u
Homo sapiens	HL-60	IC50	106.06	nM	10.6019/CHEMBL1201861
Homo sapiens	HL-60	IC50	190.0	nM	10.1016/j.bmcl.2018.02.022
Homo sapiens	HL-60	IC50	410.0	nM	10.1016/j.bmc.2015.10.028
Homo sapiens	HL-60	IC50	1500.0	nM	10.1021/np1004505
Homo sapiens	HL-60	IC50	1500.0	nM	10.1021/np900120q
Homo sapiens	HL-60	IC50	1800.0	nM	10.1021/np200693z
Homo sapiens	HL-60	IC50	3000.0	nM	10.1021/np5003302
Homo sapiens	HL-60	IC50	nan	None	10.1016/j.bmc.2009.12.073
Homo sapiens	HL-60	Inhibition	53.21	%	10.1016/j.bmcl.2010.10.100
Homo sapiens	HLE	IC50	498.32	nM	10.6019/CHEMBL1201861
Homo sapiens	HMG-CoA reductase	IC50	nan	None	None
Homo sapiens	HMG-CoA reductase	Ki	nan	None	None
Homo sapiens	HMV-2 cell line	IC50	166.06	nM	10.6019/CHEMBL1201861
Homo sapiens	HN	IC50	782.54	nM	10.6019/CHEMBL1201861
Homo sapiens	HO-1-N-1	IC50	440.64	nM	10.6019/CHEMBL1201861
Homo sapiens	Homo sapiens	DILI_Concern	nan	None	10.1016/j.drudis.2016.02.015
Homo sapiens	Homo sapiens	DILI_severity_class	0.0	None	10.1016/j.drudis.2016.02.015
Homo sapiens	Homo sapiens	IC50	2.8	ug.mL-1	10.1021/jm00128a030
Homo sapiens	Homo sapiens	IC50	500.0	nM	10.1021/jm010937q
Homo sapiens	Homo sapiens	Inhibition	65.0	%	10.1021/jm000107x
Homo sapiens	HOP-18	GI50	1099.01	nM	None
Homo sapiens	HOP-62	GI50	95.72	nM	None
Homo sapiens	HOP-62	IC50	20.2	nM	10.6019/CHEMBL1201861
Homo sapiens	HOP-92	GI50	3491.4	nM	None
Homo sapiens	HOP-92	IC50	1936.58	nM	10.6019/CHEMBL1201861
Homo sapiens	HOS	IC50	106.7	nM	10.6019/CHEMBL1201861
Homo sapiens	HPAF-II	IC50	1097.15	nM	10.6019/CHEMBL1201861
Homo sapiens	Hs-578T	GI50	3221.07	nM	None
Homo sapiens	Hs-578T	IC50	6203.02	nM	10.6019/CHEMBL1201861
Homo sapiens	HSC-2	IC50	83.42	nM	10.6019/CHEMBL1201861
Homo sapiens	HSC-3	IC50	75.54	nM	10.6019/CHEMBL1201861
Homo sapiens	HSC-4	IC50	434.45	nM	10.6019/CHEMBL1201861
Homo sapiens	HT	IC50	1536.59	nM	10.6019/CHEMBL1201861
Homo sapiens	HT-1080	IC50	0.15	ug.mL-1	10.1021/np300742d
Homo sapiens	HT-1080	IC50	353.71	nM	10.6019/CHEMBL1201861
Homo sapiens	HT1197	IC50	2021.74	nM	10.6019/CHEMBL1201861
Homo sapiens	HT-1376	IC50	967.11	nM	10.6019/CHEMBL1201861
Homo sapiens	HT-144	IC50	23.75	nM	10.6019/CHEMBL1201861
Homo sapiens	HT-29	Activity	nan	None	10.1021/np50063a010
Homo sapiens	HT-29	GI	60.0	%	10.1016/j.bmcl.2011.10.112
Homo sapiens	HT-29	GI50	758.58	nM	None
Homo sapiens	HT-29	IC50	0.02	ug.mL-1	10.1021/jm020119d
Homo sapiens	HT-29	IC50	36.02	nM	10.6019/CHEMBL1201861
Homo sapiens	HT-29	IC50	40.0	nM	10.1016/s0960-894x(99)00663-0
Homo sapiens	HT-29	IC50	60.0	nM	10.1021/acs.jmedchem.5b01380
Homo sapiens	HT-29	IC50	99.0	nM	10.1021/np50063a010
Homo sapiens	HT-29	IC50	440.0	nM	10.1021/acs.jmedchem.1c01380
Homo sapiens	HT-29	IC50	900.0	nM	10.1016/j.ejmech.2007.11.020
Homo sapiens	HT-29	IC50	2100.0	nM	10.1016/j.ejmech.2007.11.020
Homo sapiens	HT-29	IC50	7099.0	nM	10.1016/j.ejmech.2017.03.055
Homo sapiens	HT-29	Inhibition	86.0	%	10.1016/j.bmcl.2007.10.011
Homo sapiens	HT-29	IZ	10.0	mm	10.1021/np50063a010
Homo sapiens	HT-3	IC50	2.928	nM	10.6019/CHEMBL1201861
Homo sapiens	HT55	IC50	1954.57	nM	10.6019/CHEMBL1201861
Homo sapiens	HTC-C3	IC50	5789.44	nM	10.6019/CHEMBL1201861
Homo sapiens	HuCCT-1	IC50	903.51	nM	10.6019/CHEMBL1201861
Homo sapiens	Huh-7	GI50	2000.0	nM	10.1021/acs.jmedchem.7b00833
Homo sapiens	Huh-7	IC50	3222.86	nM	10.6019/CHEMBL1201861
Homo sapiens	HuO-3N1	IC50	6454.52	nM	10.6019/CHEMBL1201861
Homo sapiens	HuP-T3	IC50	710.55	nM	10.6019/CHEMBL1201861
Homo sapiens	HuP-T4	IC50	108.1	nM	10.6019/CHEMBL1201861
Homo sapiens	HuT78	IC50	66.0	nM	10.1016/j.bmc.2015.10.028
Homo sapiens	HuTu80	IC50	4.83	nM	10.6019/CHEMBL1201861
Homo sapiens	IA-LM	IC50	108.63	nM	10.6019/CHEMBL1201861
Homo sapiens	IGR-1	IC50	321.6	nM	10.6019/CHEMBL1201861
Homo sapiens	IGROV-1	GI	47.0	%	10.1007/s00044-010-9410-6
Homo sapiens	IGROV-1	GI50	2904.02	nM	None
Homo sapiens	IGROV-1	IC50	105.97	nM	10.6019/CHEMBL1201861
Homo sapiens	IM-9	IC50	56.22	nM	10.6019/CHEMBL1201861
Homo sapiens	IMR-32	GI	85.0	%	10.1016/j.ejmech.2009.10.042
Homo sapiens	IMR-32	IC50	nan	None	10.1007/s00044-010-9500-5
Homo sapiens	IMR-5	IC50	0.3076	nM	10.6019/CHEMBL1201861
Homo sapiens	Indoleamine 2,3-dioxygenase	Ki	25000.0	nM	10.1016/j.bmcl.2012.11.036
Homo sapiens	Indoleamine 2,3-dioxygenase	Ki	25000.0	nM	10.1016/j.ejmech.2020.113071
Homo sapiens	Interleukin-8 receptor A	IC50	nan	None	None
Homo sapiens	Interleukin-8 receptor A	Ki	nan	None	None
Homo sapiens	Interleukin-8 receptor B	IC50	nan	None	None
Homo sapiens	Interleukin-8 receptor B	Ki	nan	None	None
Homo sapiens	IPC-298	IC50	1228.41	nM	10.6019/CHEMBL1201861
Homo sapiens	IST-MEL1	IC50	1.684	nM	10.6019/CHEMBL1201861
Homo sapiens	IST-MES1	IC50	4146.21	nM	10.6019/CHEMBL1201861
Homo sapiens	IST-SL1	IC50	1446.2	nM	10.6019/CHEMBL1201861
Homo sapiens	IST-SL2	IC50	387.62	nM	10.6019/CHEMBL1201861
Homo sapiens	J82	IC50	0.119	nM	10.6019/CHEMBL1201861
Homo sapiens	JAR	IC50	4563.84	nM	10.6019/CHEMBL1201861
Homo sapiens	JEG-3	IC50	2231.91	nM	10.6019/CHEMBL1201861
Homo sapiens	JIYOYE	IC50	629.54	nM	10.6019/CHEMBL1201861
Homo sapiens	J-RT3-T3-5	IC50	185.8	nM	10.6019/CHEMBL1201861
Homo sapiens	Jurkat	Activity	87.0	None	10.1016/j.bmc.2015.10.028
Homo sapiens	Jurkat	Activity	96.0	None	10.1016/j.bmc.2015.10.028
Homo sapiens	Jurkat	Activity	nan	None	10.1016/j.bmc.2015.10.028
Homo sapiens	Jurkat	Activity	nan	None	10.1016/j.ejmech.2021.113256
Homo sapiens	Jurkat	IC50	303.0	nM	10.1016/j.bmc.2015.10.028
Homo sapiens	Jurkat	IC50	430.0	nM	10.1021/acs.jnatprod.9b00229
Homo sapiens	Jurkat	IC50	578.0	nM	10.1016/j.bmc.2015.10.028
Homo sapiens	Jurkat	IC50	nan	None	10.1016/j.bmc.2009.12.073
Homo sapiens	Jurkat	IC50	nan	None	10.1016/j.ejmech.2013.05.036
Homo sapiens	JVM-2	IC50	397.34	nM	10.6019/CHEMBL1201861
Homo sapiens	JVM-3	IC50	2647.52	nM	10.6019/CHEMBL1201861
Homo sapiens	K052	IC50	149.34	nM	10.6019/CHEMBL1201861
Homo sapiens	K5	IC50	1783.98	nM	10.6019/CHEMBL1201861
Homo sapiens	K562	GI50	2027.68	nM	None
Homo sapiens	K562	IC50	1.0	nM	10.1021/jm0209883
Homo sapiens	K562	IC50	3.35	ug.mL-1	10.1016/j.bmcl.2006.01.021
Homo sapiens	K562	IC50	15.8	nM	10.1021/jm0209883
Homo sapiens	K562	IC50	470.0	nM	10.1016/j.bmc.2009.12.073
Homo sapiens	K562	IC50	1978.69	nM	10.6019/CHEMBL1201861
Homo sapiens	KALS-1	IC50	129.14	nM	10.6019/CHEMBL1201861
Homo sapiens	Kappa opioid receptor	IC50	nan	None	None
Homo sapiens	Kappa opioid receptor	Ki	nan	None	None
Homo sapiens	KARPAS-299	IC50	1416.51	nM	10.6019/CHEMBL1201861
Homo sapiens	KARPAS-422	IC50	907.39	nM	10.6019/CHEMBL1201861
Homo sapiens	KARPAS-45	IC50	2271.84	nM	10.6019/CHEMBL1201861
Homo sapiens	KB	ED50	0.13	ug ml-1	10.1021/np058063o
Homo sapiens	KB	ED50	0.56	ug ml-1	10.1021/np058110c
Homo sapiens	KB	IC50	0.01	ug.mL-1	10.1021/np010071r
Homo sapiens	KB	IC50	0.01	ug.mL-1	10.1021/np0202273
Homo sapiens	KB	IC50	0.015	ug.mL-1	10.1021/np020497l
Homo sapiens	KB	IC50	0.08	ug.mL-1	10.1016/j.bmcl.2011.09.052
Homo sapiens	KB	IC50	0.1	ug.mL-1	10.1021/jm010090y
Homo sapiens	KB	IC50	400.0	nM	10.1016/0960-894X(95)00353-U
Homo sapiens	KB	IC50	400.0	nM	10.1016/S0960-894X(97)00100-5
Homo sapiens	KB	IC50	600.0	nM	10.1021/np0500575
Homo sapiens	KE-37	IC50	1.636	nM	10.6019/CHEMBL1201861
Homo sapiens	KG-1	IC50	597.14	nM	10.6019/CHEMBL1201861
Homo sapiens	KGN	IC50	207.13	nM	10.6019/CHEMBL1201861
Homo sapiens	KINGS-1	IC50	8611.64	nM	10.6019/CHEMBL1201861
Homo sapiens	KLE	IC50	2982.24	nM	10.6019/CHEMBL1201861
Homo sapiens	KM12	GI50	2218.2	nM	None
Homo sapiens	KM12	IC50	1083.64	nM	10.6019/CHEMBL1201861
Homo sapiens	KM-20L2	GI50	1297.18	nM	None
Homo sapiens	KM-H2	IC50	130.45	nM	10.6019/CHEMBL1201861
Homo sapiens	KMOE-2	IC50	1624.13	nM	10.6019/CHEMBL1201861
Homo sapiens	KMS-12-PE	IC50	3827.88	nM	10.6019/CHEMBL1201861
Homo sapiens	KNS-42	IC50	1092.39	nM	10.6019/CHEMBL1201861
Homo sapiens	KNS-81-FD	IC50	1594.46	nM	10.6019/CHEMBL1201861
Homo sapiens	KOSC-2	IC50	1531.03	nM	10.6019/CHEMBL1201861
Homo sapiens	KP-4	IC50	93.15	nM	10.6019/CHEMBL1201861
Homo sapiens	KP-N-YN	IC50	3415.35	nM	10.6019/CHEMBL1201861
Homo sapiens	KP-N-YS	IC50	640.12	nM	10.6019/CHEMBL1201861
Homo sapiens	KS-1	IC50	364.15	nM	10.6019/CHEMBL1201861
Homo sapiens	KU-19-19	IC50	3358.35	nM	10.6019/CHEMBL1201861
Homo sapiens	KU812 cell line	IC50	149.96	nM	10.6019/CHEMBL1201861
Homo sapiens	KURAMOCHI	IC50	523.44	nM	10.6019/CHEMBL1201861
Homo sapiens	KY821	IC50	1650.78	nM	10.6019/CHEMBL1201861
Homo sapiens	KYSE-140	IC50	381.34	nM	10.6019/CHEMBL1201861
Homo sapiens	KYSE-150 cell line	IC50	34.09	nM	10.6019/CHEMBL1201861
Homo sapiens	KYSE-180	IC50	202.19	nM	10.6019/CHEMBL1201861
Homo sapiens	KYSE-270	IC50	102.84	nM	10.6019/CHEMBL1201861
Homo sapiens	KYSE-410	IC50	583.59	nM	10.6019/CHEMBL1201861
Homo sapiens	KYSE-450	IC50	563.11	nM	10.6019/CHEMBL1201861
Homo sapiens	KYSE-510	IC50	0.1486	nM	10.6019/CHEMBL1201861
Homo sapiens	KYSE-520 cell line	IC50	772.18	nM	10.6019/CHEMBL1201861
Homo sapiens	KYSE-70 cell line	IC50	224.31	nM	10.6019/CHEMBL1201861
Homo sapiens	L02	IC50	25023.0	nM	10.1016/j.ejmech.2017.03.055
Homo sapiens	L-363	IC50	434.17	nM	10.6019/CHEMBL1201861
Homo sapiens	L-428	IC50	1157.78	nM	10.6019/CHEMBL1201861
Homo sapiens	L-540	IC50	95.14	nM	10.6019/CHEMBL1201861
Homo sapiens	LAMA-84	IC50	641.66	nM	10.6019/CHEMBL1201861
Homo sapiens	LAN-6	IC50	327.79	nM	10.6019/CHEMBL1201861
Homo sapiens	LB1047-RCC	IC50	13.6	nM	10.6019/CHEMBL1201861
Homo sapiens	LB2241-RCC	IC50	13.19	nM	10.6019/CHEMBL1201861
Homo sapiens	LB2518-MEL	IC50	534.56	nM	10.6019/CHEMBL1201861
Homo sapiens	LB373-MEL-D	IC50	429.62	nM	10.6019/CHEMBL1201861
Homo sapiens	LB647-SCLC	IC50	336.08	nM	10.6019/CHEMBL1201861
Homo sapiens	LB771-HNC	IC50	779.74	nM	10.6019/CHEMBL1201861
Homo sapiens	LB831-BLC	IC50	816.08	nM	10.6019/CHEMBL1201861
Homo sapiens	LB996-RCC	IC50	17.68	nM	10.6019/CHEMBL1201861
Homo sapiens	LC-1F	IC50	862.33	nM	10.6019/CHEMBL1201861
Homo sapiens	LC-2-ad	IC50	0.2492	nM	10.6019/CHEMBL1201861
Homo sapiens	LC4-1	IC50	1239.59	nM	10.6019/CHEMBL1201861
Homo sapiens	LCLC-103H cell line	IC50	460.87	nM	10.6019/CHEMBL1201861
Homo sapiens	LCLC-97TM1	IC50	138.72	nM	10.6019/CHEMBL1201861
Homo sapiens	Leukocyte common antigen	IC50	nan	None	None
Homo sapiens	Leukocyte common antigen	Ki	nan	None	None
Homo sapiens	Leukocyte elastase	IC50	nan	None	None
Homo sapiens	Leukocyte elastase	Ki	nan	None	None
Homo sapiens	Liver microsomes	Activity	nan	None	10.1021/tx300075j
Homo sapiens	Liver microsomes	Stability	nan	%	10.1021/tx300075j
Homo sapiens	LK-2	IC50	358.14	nM	10.6019/CHEMBL1201861
Homo sapiens	LN-405	IC50	2154.28	nM	10.6019/CHEMBL1201861
Homo sapiens	LNCaP-Clone-FGC	IC50	450.08	nM	10.6019/CHEMBL1201861
Homo sapiens	LOUCY	IC50	26.19	nM	10.6019/CHEMBL1201861
Homo sapiens	LoVo	IC50	430.68	nM	10.6019/CHEMBL1201861
Homo sapiens	LOX IMVI	GI50	266.69	nM	None
Homo sapiens	LOX IMVI	IC50	352.5	nM	10.6019/CHEMBL1201861
Homo sapiens	LP-1	IC50	4559.67	nM	10.6019/CHEMBL1201861
Homo sapiens	LS-1034	IC50	30.16	nM	10.6019/CHEMBL1201861
Homo sapiens	LS-123	IC50	1720.01	nM	10.6019/CHEMBL1201861
Homo sapiens	LS-411N	IC50	321.76	nM	10.6019/CHEMBL1201861
Homo sapiens	LS-513	IC50	1178.08	nM	10.6019/CHEMBL1201861
Homo sapiens	LU-134-A	IC50	46.72	nM	10.6019/CHEMBL1201861
Homo sapiens	LU-139	IC50	1218.41	nM	10.6019/CHEMBL1201861
Homo sapiens	LU-165	IC50	513.11	nM	10.6019/CHEMBL1201861
Homo sapiens	Lu-65	IC50	1012.47	nM	10.6019/CHEMBL1201861
Homo sapiens	LU-99A	IC50	224.24	nM	10.6019/CHEMBL1201861
Homo sapiens	Lu-99 cell line	IC50	0.01	ug.mL-1	10.1016/S0960-894X(97)00071-1
Homo sapiens	LXF-289 cell line	IC50	55.37	nM	10.6019/CHEMBL1201861
Homo sapiens	LXFL 529	GI50	2552.7	nM	None
Homo sapiens	M059J	IC50	100.6	nM	10.6019/CHEMBL1201861
Homo sapiens	M14	GI50	379.31	nM	None
Homo sapiens	M14	IC50	470.0	nM	10.1021/acs.jnatprod.5b00601
Homo sapiens	M14	IC50	1337.6	nM	10.6019/CHEMBL1201861
Homo sapiens	M19-MEL	GI50	613.76	nM	None
Homo sapiens	Malme-3M	GI50	796.16	nM	None
Homo sapiens	MAP kinase ERK1	IC50	nan	None	None
Homo sapiens	MAP kinase ERK1	Ki	nan	None	None
Homo sapiens	MAP kinase ERK2	IC50	nan	None	None
Homo sapiens	MAP kinase ERK2	Ki	nan	None	None
Homo sapiens	MAP kinase p38 alpha	IC50	nan	None	None
Homo sapiens	MAP kinase p38 alpha	Ki	nan	None	None
Homo sapiens	Matrix metalloproteinase-1	IC50	nan	None	None
Homo sapiens	Matrix metalloproteinase-1	Ki	nan	None	None
Homo sapiens	Matrix metalloproteinase 9	IC50	nan	None	None
Homo sapiens	Matrix metalloproteinase 9	Ki	nan	None	None
Homo sapiens	MC116	IC50	1416.64	nM	10.6019/CHEMBL1201861
Homo sapiens	MC-CAR	IC50	160.91	nM	10.6019/CHEMBL1201861
Homo sapiens	MCF7	EC50	960.0	nM	10.1016/j.bmc.2009.07.039
Homo sapiens	MCF7	EC50	960.0	nM	10.1016/j.bmcl.2007.10.005
Homo sapiens	MCF7	ED50	0.09	ug ml-1	10.1016/j.bmcl.2012.05.002
Homo sapiens	MCF7	ED50	0.1	ug ml-1	10.1016/j.bmc.2010.10.032
Homo sapiens	MCF7	ED50	0.14	ug ml-1	10.1016/j.bmc.2010.01.036
Homo sapiens	MCF7	GI	65.0	%	10.1007/s00044-011-9887-7
Homo sapiens	MCF7	GI	82.0	%	10.1007/s00044-012-0032-z
Homo sapiens	MCF7	GI	82.0	%	10.1016/j.ejmech.2012.08.018
Homo sapiens	MCF7	GI	82.0	%	10.1016/j.ejmech.2013.05.029
Homo sapiens	MCF7	GI	nan	None	10.1016/j.bmcl.2013.11.032
Homo sapiens	MCF7	GI50	148.25	nM	None
Homo sapiens	MCF7	GI50	2500.0	nM	10.1021/acs.jmedchem.7b00833
Homo sapiens	MCF7	IC50	0.45	ug.mL-1	10.1021/jm010090y
Homo sapiens	MCF7	IC50	0.93	ug.mL-1	10.1021/jm020119d
Homo sapiens	MCF7	IC50	13.9	nM	10.6019/CHEMBL1201861
Homo sapiens	MCF7	IC50	60.0	nM	10.1021/acs.jmedchem.5b01380
Homo sapiens	MCF7	IC50	200.0	nM	10.1016/j.bmc.2007.11.019
Homo sapiens	MCF7	IC50	200.0	nM	10.1016/j.ejmech.2008.07.013
Homo sapiens	MCF7	IC50	200.0	nM	10.1016/j.ejmech.2014.09.049
Homo sapiens	MCF7	IC50	1200.0	nM	10.1016/j.bmc.2007.11.019
Homo sapiens	MCF7	IC50	1500.0	nM	10.1021/np0500575
Homo sapiens	MCF7	IC50	1800.0	nM	10.1021/acs.jnatprod.2c00440
Homo sapiens	MCF7	IC50	5000.0	nM	10.1016/j.bmc.2007.11.019
Homo sapiens	MCF7	IC50	16710.0	nM	10.1016/j.ejmech.2019.111897
Homo sapiens	MCF7	IC50	nan	None	10.1007/s00044-010-9500-5
Homo sapiens	MCF7	IC50	nan	None	10.1016/j.bmcl.2014.08.010
Homo sapiens	MCF7	ID50	42.92	uM	10.1016/s0960-894x(00)00429-7
Homo sapiens	MCF7	Inhibition	78.0	%	10.1016/j.bmcl.2007.10.011
Homo sapiens	MC-IXC	IC50	0.638	nM	10.6019/CHEMBL1201861
Homo sapiens	MDA-MB-134-VI	IC50	2158.6	nM	10.6019/CHEMBL1201861
Homo sapiens	MDA-MB-157	IC50	2192.54	nM	10.6019/CHEMBL1201861
Homo sapiens	MDA-MB-175-VII	IC50	3158.19	nM	10.6019/CHEMBL1201861
Homo sapiens	MDA-MB-231	EC50	103.0	nM	10.1016/j.bmc.2013.09.052
Homo sapiens	MDA-MB-231	EC50	1250.0	nM	10.1016/j.bmc.2013.09.052
Homo sapiens	MDA-MB-231	GI50	5714.79	nM	None
Homo sapiens	MDA-MB-231	IC50	2890.0	nM	10.1021/acs.jmedchem.1c01380
Homo sapiens	MDA-MB-231	IC50	3239.64	nM	10.6019/CHEMBL1201861
Homo sapiens	MDA-MB-231	IC50	4400.0	nM	10.1021/acs.jnatprod.7b00693
Homo sapiens	MDA-MB-231	IC50	nan	None	10.1016/j.bmcl.2017.06.004
Homo sapiens	MDA-MB-361	IC50	808.98	nM	10.6019/CHEMBL1201861
Homo sapiens	MDA-MB-415	IC50	723.95	nM	10.6019/CHEMBL1201861
Homo sapiens	MDA-MB-435	GI50	1737.8	nM	None
Homo sapiens	MDA-MB-453	IC50	1079.17	nM	10.6019/CHEMBL1201861
Homo sapiens	MDA-MB-468	IC50	270.0	nM	10.1016/j.bmcl.2003.12.046
Homo sapiens	MDA-MB-468	IC50	345.31	nM	10.6019/CHEMBL1201861
Homo sapiens	MDA-MB-468	IC50	500.0	nM	10.1021/acs.jnatprod.5b00601
Homo sapiens	MDA-N	GI50	1702.16	nM	None
Homo sapiens	ME-180	IC50	40.11	nM	10.6019/CHEMBL1201861
Homo sapiens	MEG-01	IC50	683.36	nM	10.6019/CHEMBL1201861
Homo sapiens	Melanocortin receptor 3	IC50	nan	None	None
Homo sapiens	Melanocortin receptor 3	Ki	nan	None	None
Homo sapiens	Melanocortin receptor 4	IC50	nan	None	None
Homo sapiens	Melanocortin receptor 4	Ki	nan	None	None
Homo sapiens	Melanocortin receptor 5	IC50	nan	None	None
Homo sapiens	Melanocortin receptor 5	Ki	nan	None	None
Homo sapiens	MEL-HO	IC50	39.4	nM	10.6019/CHEMBL1201861
Homo sapiens	MEL-JUSO	IC50	51.25	nM	10.6019/CHEMBL1201861
Homo sapiens	MES-SA	IC50	144.94	nM	10.6019/CHEMBL1201861
Homo sapiens	MeWo	IC50	9552.33	nM	10.6019/CHEMBL1201861
Homo sapiens	MFE-280	IC50	8348.73	nM	10.6019/CHEMBL1201861
Homo sapiens	MFE-296	IC50	286.23	nM	10.6019/CHEMBL1201861
Homo sapiens	MFH-ino	IC50	70.61	nM	10.6019/CHEMBL1201861
Homo sapiens	MFM-223	IC50	10380.73	nM	10.6019/CHEMBL1201861
Homo sapiens	MG-63	IC50	226.18	nM	10.6019/CHEMBL1201861
Homo sapiens	MHH-CALL-2	IC50	6.06	nM	10.6019/CHEMBL1201861
Homo sapiens	MHH-ES-1	IC50	16.26	nM	10.6019/CHEMBL1201861
Homo sapiens	MHH-NB-11	IC50	192.55	nM	10.6019/CHEMBL1201861
Homo sapiens	MHH-PREB-1	IC50	3147.35	nM	10.6019/CHEMBL1201861
Homo sapiens	MIA PaCa-2	IC50	275.45	nM	10.6019/CHEMBL1201861
Homo sapiens	MKN-1	IC50	540.81	nM	10.6019/CHEMBL1201861
Homo sapiens	MKN-28	IC50	230.09	nM	10.6019/CHEMBL1201861
Homo sapiens	MKN-45	IC50	165.04	nM	10.6019/CHEMBL1201861
Homo sapiens	MKN-7	IC50	27856.21	nM	10.6019/CHEMBL1201861
Homo sapiens	MKN-74	GI50	1700.0	nM	10.1021/acs.jmedchem.7b00833
Homo sapiens	ML-2	IC50	8.781	nM	10.6019/CHEMBL1201861
Homo sapiens	MLMA	IC50	1309.78	nM	10.6019/CHEMBL1201861
Homo sapiens	MMAC-SF	IC50	1011.63	nM	10.6019/CHEMBL1201861
Homo sapiens	MN-60	IC50	1263.32	nM	10.6019/CHEMBL1201861
Homo sapiens	Mo	IC50	8911.63	nM	10.6019/CHEMBL1201861
Homo sapiens	MOLT-16	IC50	585.19	nM	10.6019/CHEMBL1201861
Homo sapiens	MOLT-4	GI50	229.61	nM	None
Homo sapiens	MOLT-4	IC50	0.03248	nM	10.6019/CHEMBL1201861
Homo sapiens	Monoamine oxidase A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Monoamine oxidase A	IC50	nan	None	None
Homo sapiens	Monoamine oxidase A	Ki	nan	None	None
Homo sapiens	MONO-MAC-6	IC50	72.35	nM	10.6019/CHEMBL1201861
Homo sapiens	MPP-89	IC50	991.22	nM	10.6019/CHEMBL1201861
Homo sapiens	MRK-nu-1	IC50	110.25	nM	10.6019/CHEMBL1201861
Homo sapiens	MS-1	IC50	344.02	nM	10.6019/CHEMBL1201861
Homo sapiens	MSTO-211H	IC50	2823.69	nM	10.6019/CHEMBL1201861
Homo sapiens	Mu opioid receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Mu opioid receptor	IC50	nan	None	None
Homo sapiens	Mu opioid receptor	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M1	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M1	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M2	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M2	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M3	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M3	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M4	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M4	Ki	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M5	IC50	nan	None	None
Homo sapiens	Muscarinic acetylcholine receptor M5	Ki	nan	None	None
Homo sapiens	MV4-11	IC50	1.732	nM	10.6019/CHEMBL1201861
Homo sapiens	MZ1-PC	IC50	450.11	nM	10.6019/CHEMBL1201861
Homo sapiens	MZ2-MEL	IC50	432.47	nM	10.6019/CHEMBL1201861
Homo sapiens	MZ7-mel	IC50	332.56	nM	10.6019/CHEMBL1201861
Homo sapiens	NALM-6	IC50	1.066	nM	10.6019/CHEMBL1201861
Homo sapiens	NB1	IC50	186.61	nM	10.6019/CHEMBL1201861
Homo sapiens	NB10	IC50	81.65	nM	10.6019/CHEMBL1201861
Homo sapiens	NB12	IC50	1203.71	nM	10.6019/CHEMBL1201861
Homo sapiens	NB13	IC50	646.03	nM	10.6019/CHEMBL1201861
Homo sapiens	NB5	IC50	357.9	nM	10.6019/CHEMBL1201861
Homo sapiens	NB6	IC50	2233.52	nM	10.6019/CHEMBL1201861
Homo sapiens	NB69	IC50	175.06	nM	10.6019/CHEMBL1201861
Homo sapiens	NCCIT	IC50	1010.24	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI/ADR-RES	GI50	4742.42	nM	None
Homo sapiens	NCI-H1092	IC50	3279.9	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1155	IC50	873.36	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1299	IC50	218.41	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1304	IC50	375.23	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1355	IC50	116.8	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1395	IC50	2234.83	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1417	IC50	236.9	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1436	IC50	1927.42	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1437	IC50	126.26	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1522	IC50	3235.46	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1563	IC50	1427.84	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1573	IC50	1460.85	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1581	IC50	906.74	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1618	IC50	117.76	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1623	IC50	1014.28	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1648	IC50	523.01	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1650	IC50	282.57	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1651	IC50	4.99	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1693	IC50	899.63	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1694	IC50	415.28	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1703	IC50	276.88	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1734	IC50	136.85	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1755	IC50	5436.94	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1770	IC50	342.65	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1792	IC50	697.34	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1793	IC50	1814.82	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1838	IC50	404.19	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H187	IC50	707.99	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1882	IC50	257.09	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1963	IC50	974.37	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H1993	IC50	22984.02	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2009	IC50	288.57	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2030	IC50	211.32	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2052	IC50	1988.12	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2081	IC50	740.57	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2087	IC50	85.69	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H209	IC50	6.168	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2122	IC50	13.96	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2126	IC50	260.2	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2141	IC50	852.81	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2170	IC50	0.1513	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2171	IC50	1497.85	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2196	IC50	886.0	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2227	IC50	6323.64	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2228	IC50	0.7963	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H226	GI50	714.5	nM	None
Homo sapiens	NCI-H226	IC50	580.0	nM	10.1021/acs.jnatprod.5b00601
Homo sapiens	NCI-H226	IC50	777.21	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H23	GI50	129.42	nM	None
Homo sapiens	NCI-H23	IC50	1206.61	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H23	IC50	2000.0	nM	10.1016/j.ejmech.2013.05.036
Homo sapiens	NCI-H23	Inhibition	nan	%	10.1016/j.ejmech.2013.05.036
Homo sapiens	NCI-H2342	IC50	62.51	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2347	IC50	849.97	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2405	IC50	294.34	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H2452	IC50	8936.28	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H28	IC50	2435.24	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H292	IC50	884.41	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H322M	GI50	995.41	nM	None
Homo sapiens	NCI-H322M	IC50	1801.52	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H345	IC50	4731.93	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H358	IC50	276.26	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H441	IC50	17.6	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H446	IC50	12422.72	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H460	GI50	17.95	nM	None
Homo sapiens	NCI-H460	IC50	6.452	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H510A	IC50	402.82	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H520	IC50	168.65	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H522	GI50	666.81	nM	None
Homo sapiens	NCI-H522	IC50	169.45	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H524	IC50	2703.2	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H526	IC50	67.37	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H596	IC50	1537.7	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H596	IC50	11969.0	nM	10.1016/j.ejmech.2017.03.055
Homo sapiens	NCI-H64	IC50	1534.44	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H650	IC50	344.07	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H661	IC50	541.58	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H69	IC50	1678.82	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H716	IC50	2820.42	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H719	IC50	35.12	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H720	IC50	1544.25	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H727	IC50	211.8	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H747	IC50	411.59	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H748	IC50	59.54	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H810	IC50	251.61	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H82	IC50	2801.93	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H838	IC50	1232.91	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-H889	IC50	2483.42	nM	10.6019/CHEMBL1201861
Homo sapiens	NCI-N87	IC50	438.12	nM	10.6019/CHEMBL1201861
Homo sapiens	NEC8	IC50	186.77	nM	10.6019/CHEMBL1201861
Homo sapiens	Neurokinin 1 receptor	IC50	nan	None	None
Homo sapiens	Neurokinin 1 receptor	Ki	nan	None	None
Homo sapiens	Neurokinin 2 receptor	IC50	nan	None	None
Homo sapiens	Neurokinin 2 receptor	Ki	nan	None	None
Homo sapiens	Neuropeptide Y receptor type 1	IC50	nan	None	None
Homo sapiens	Neuropeptide Y receptor type 1	Ki	nan	None	None
Homo sapiens	Neuropeptide Y receptor type 2	IC50	nan	None	None
Homo sapiens	Neuropeptide Y receptor type 2	Ki	nan	None	None
Homo sapiens	NH-12	IC50	139.13	nM	10.6019/CHEMBL1201861
Homo sapiens	NKM-1	IC50	7.831	nM	10.6019/CHEMBL1201861
Homo sapiens	NMC-G1	IC50	216.75	nM	10.6019/CHEMBL1201861
Homo sapiens	no-10	IC50	299.6	nM	10.6019/CHEMBL1201861
Homo sapiens	no-11	IC50	7742.02	nM	10.6019/CHEMBL1201861
Homo sapiens	NOMO-1	IC50	151.41	nM	10.6019/CHEMBL1201861
Homo sapiens	Norepinephrine transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Norepinephrine transporter	IC50	nan	None	None
Homo sapiens	Norepinephrine transporter	Ki	nan	None	None
Homo sapiens	NOS-1	IC50	1502.27	nM	10.6019/CHEMBL1201861
Homo sapiens	NTERA-2-cl-D1	IC50	0.02213	nM	10.6019/CHEMBL1201861
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	3662.6	nM	None
Homo sapiens	NUGC-3	IC50	16.95	nM	10.6019/CHEMBL1201861
Homo sapiens	NUGC-4	ED50	19.1	uM	10.1021/np020356j
Homo sapiens	NY	IC50	657.39	nM	10.6019/CHEMBL1201861
Homo sapiens	OAW-28	IC50	440.65	nM	10.6019/CHEMBL1201861
Homo sapiens	OAW-42	IC50	89.42	nM	10.6019/CHEMBL1201861
Homo sapiens	OCI-AML2	IC50	1.886	nM	10.6019/CHEMBL1201861
Homo sapiens	OCUB-M	IC50	102.98	nM	10.6019/CHEMBL1201861
Homo sapiens	OE19	IC50	364.96	nM	10.6019/CHEMBL1201861
Homo sapiens	OE33	IC50	337.8	nM	10.6019/CHEMBL1201861
Homo sapiens	OMC-1	IC50	389.55	nM	10.6019/CHEMBL1201861
Homo sapiens	ONS-76	IC50	329.56	nM	10.6019/CHEMBL1201861
Homo sapiens	OPM-2	IC50	6348.57	nM	10.6019/CHEMBL1201861
Homo sapiens	OS-RC-2	IC50	263.7	nM	10.6019/CHEMBL1201861
Homo sapiens	OVCAR-3	GI	65.0	%	10.1016/j.ejmech.2009.11.001
Homo sapiens	OVCAR-3	GI50	3069.02	nM	None
Homo sapiens	OVCAR-3	IC50	1127.87	nM	10.6019/CHEMBL1201861
Homo sapiens	OVCAR-4	GI50	3564.51	nM	None
Homo sapiens	OVCAR-4	IC50	696.91	nM	10.6019/CHEMBL1201861
Homo sapiens	OVCAR-5	GI	71.0	%	10.1007/s00044-012-0032-z
Homo sapiens	OVCAR-5	GI50	1358.31	nM	None
Homo sapiens	OVCAR-5	IC50	487.11	nM	10.6019/CHEMBL1201861
Homo sapiens	OVCAR-8	GI50	1106.62	nM	None
Homo sapiens	OVCAR-8	IC50	175.54	nM	10.6019/CHEMBL1201861
Homo sapiens	P12-Ichikawa	IC50	4.787	nM	10.6019/CHEMBL1201861
Homo sapiens	P30-OHK	IC50	4.842	nM	10.6019/CHEMBL1201861
Homo sapiens	P31-FUJ	IC50	3457.75	nM	10.6019/CHEMBL1201861
Homo sapiens	PA-1	IC50	23.51	nM	10.6019/CHEMBL1201861
Homo sapiens	PANC-03-27	IC50	167.16	nM	10.6019/CHEMBL1201861
Homo sapiens	PANC-08-13	IC50	2397.77	nM	10.6019/CHEMBL1201861
Homo sapiens	Panc1005	IC50	73.75	nM	10.6019/CHEMBL1201861
Homo sapiens	PBMC	IC50	4030.0	nM	10.1016/j.bmc.2009.12.073
Homo sapiens	PC-14	IC50	491.27	nM	10.6019/CHEMBL1201861
Homo sapiens	PC-3	Activity	59.0	%	10.1021/np3006666
Homo sapiens	PC-3	Activity	nan	None	10.1007/s00044-012-0424-0
Homo sapiens	PC-3	EC50	140.0	nM	10.1016/j.bmc.2009.07.039
Homo sapiens	PC-3	EC50	140.0	nM	10.1016/j.bmcl.2007.10.005
Homo sapiens	PC-3	GI	41.0	%	10.1016/j.ejmech.2009.11.001
Homo sapiens	PC-3	GI	53.0	%	10.1016/j.bmcl.2010.01.147
Homo sapiens	PC-3	GI	55.0	%	10.1016/j.bmcl.2011.10.112
Homo sapiens	PC-3	GI	58.0	%	10.1007/s00044-011-9887-7
Homo sapiens	PC-3	GI	60.0	%	10.1016/j.ejmech.2011.10.033
Homo sapiens	PC-3	GI	60.0	%	10.1016/j.ejmech.2012.06.057
Homo sapiens	PC-3	GI	61.0	%	10.1007/s00044-010-9410-6
Homo sapiens	PC-3	GI	61.0	%	10.1007/s00044-012-0106-y
Homo sapiens	PC-3	GI	68.0	%	10.1016/j.ejmech.2013.01.027
Homo sapiens	PC-3	GI	70.0	%	10.1016/j.ejmech.2011.12.018
Homo sapiens	PC-3	GI	70.0	%	10.1016/j.ejmech.2012.08.018
Homo sapiens	PC-3	GI50	2243.88	nM	None
Homo sapiens	PC-3	IC50	1.55	ug.mL-1	10.1021/jm010090y
Homo sapiens	PC-3	IC50	1400.0	nM	10.1007/s00044-010-9500-5
Homo sapiens	PC-3	IC50	1500.0	nM	10.1007/s00044-012-0424-0
Homo sapiens	PC-3	IC50	1500.0	nM	10.1016/j.ejmech.2009.11.001
Homo sapiens	PC-3	IC50	1500.0	nM	10.1016/j.ejmech.2013.08.017
Homo sapiens	PC-3	IC50	1500.0	nM	10.1039/C3MD00055A
Homo sapiens	PC-3	IC50	4071.59	nM	10.6019/CHEMBL1201861
Homo sapiens	PF-382	IC50	250.63	nM	10.6019/CHEMBL1201861
Homo sapiens	PFSK-1	IC50	5883.51	nM	10.6019/CHEMBL1201861
Homo sapiens	P-glycoprotein 1	Activity	nan	None	10.1016/j.bbrc.2004.01.156
Homo sapiens	Phosphodiesterase 3A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 4A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 5A	IC50	nan	None	None
Homo sapiens	Phosphodiesterase 5A	Ki	nan	None	None
Homo sapiens	Platelet activating factor receptor	IC50	nan	None	None
Homo sapiens	Platelet activating factor receptor	Ki	nan	None	None
Homo sapiens	PLC-PRF-5	IC50	4194.46	nM	10.6019/CHEMBL1201861
Homo sapiens	Progesterone receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Protein kinase C alpha	IC50	nan	None	None
Homo sapiens	Protein kinase C alpha	Ki	nan	None	None
Homo sapiens	PSN1	IC50	2.554	nM	10.6019/CHEMBL1201861
Homo sapiens	QIMR-WIL	IC50	119.58	nM	10.6019/CHEMBL1201861
Homo sapiens	Raji	IC50	1220.94	nM	10.6019/CHEMBL1201861
Homo sapiens	Raji	IC50	nan	None	10.1016/j.bmc.2009.12.073
Homo sapiens	Ramos-2G6-4C10	IC50	2545.72	nM	10.6019/CHEMBL1201861
Homo sapiens	RCC10RGB	IC50	1349.36	nM	10.6019/CHEMBL1201861
Homo sapiens	RCM-1	IC50	847.28	nM	10.6019/CHEMBL1201861
Homo sapiens	RD	IC50	1898.46	nM	10.6019/CHEMBL1201861
Homo sapiens	Receptor protein-tyrosine kinase erbB-2	IC50	nan	None	None
Homo sapiens	Receptor protein-tyrosine kinase erbB-2	Ki	nan	None	None
Homo sapiens	REH	IC50	2.548	nM	10.6019/CHEMBL1201861
Homo sapiens	RERF-LC-MS	IC50	1031.57	nM	10.6019/CHEMBL1201861
Homo sapiens	RH-1	IC50	49.57	nM	10.6019/CHEMBL1201861
Homo sapiens	RKO	IC50	1.75	ug.mL-1	10.1016/j.bmcl.2006.01.021
Homo sapiens	RKO	IC50	125.29	nM	10.6019/CHEMBL1201861
Homo sapiens	RL	IC50	5436.57	nM	10.6019/CHEMBL1201861
Homo sapiens	RMG-I	IC50	3461.27	nM	10.6019/CHEMBL1201861
Homo sapiens	RO82-W-1	IC50	13327.4	nM	10.6019/CHEMBL1201861
Homo sapiens	RPMI-2650	IC50	195.75	nM	10.6019/CHEMBL1201861
Homo sapiens	RPMI-6666	IC50	219.61	nM	10.6019/CHEMBL1201861
Homo sapiens	RPMI-7951	IC50	167.55	nM	10.6019/CHEMBL1201861
Homo sapiens	RPMI-8226	GI50	2404.36	nM	None
Homo sapiens	RPMI-8226	IC50	200.0	nM	10.1021/jm00114a003
Homo sapiens	RPMI-8226	IC50	1238.47	nM	10.6019/CHEMBL1201861
Homo sapiens	RPMI 8402	IC50	17.13	nM	10.6019/CHEMBL1201861
Homo sapiens	RPMI-8866	IC50	1317.77	nM	10.6019/CHEMBL1201861
Homo sapiens	RS4-11	IC50	34.86	nM	10.6019/CHEMBL1201861
Homo sapiens	RT-112	IC50	177.98	nM	10.6019/CHEMBL1201861
Homo sapiens	RT-4	IC50	1699.23	nM	10.6019/CHEMBL1201861
Homo sapiens	RVH-421	IC50	629.17	nM	10.6019/CHEMBL1201861
Homo sapiens	RXF 393	GI50	2009.09	nM	None
Homo sapiens	RXF 393	IC50	4389.75	nM	10.6019/CHEMBL1201861
Homo sapiens	RXF 631	GI50	1124.6	nM	None
Homo sapiens	S-117	IC50	592.44	nM	10.6019/CHEMBL1201861
Homo sapiens	SAOS-2	IC50	1406.49	nM	10.6019/CHEMBL1201861
Homo sapiens	SAS	IC50	614.65	nM	10.6019/CHEMBL1201861
Homo sapiens	SBC-1	IC50	447.7	nM	10.6019/CHEMBL1201861
Homo sapiens	SBC-5	IC50	2.589	nM	10.6019/CHEMBL1201861
Homo sapiens	SCC-15	IC50	863.86	nM	10.6019/CHEMBL1201861
Homo sapiens	SCC-25	IC50	870.36	nM	10.6019/CHEMBL1201861
Homo sapiens	SCC-3	IC50	8.519	nM	10.6019/CHEMBL1201861
Homo sapiens	SCC-4	IC50	387.7	nM	10.6019/CHEMBL1201861
Homo sapiens	SCC-9	IC50	3787.53	nM	10.6019/CHEMBL1201861
Homo sapiens	SCH	IC50	1063771.62	nM	10.6019/CHEMBL1201861
Homo sapiens	SCLC-21H	IC50	963.03	nM	10.6019/CHEMBL1201861
Homo sapiens	Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform	IC50	nan	None	None
Homo sapiens	Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform	Ki	nan	None	None
Homo sapiens	Serotonin 1a (5-HT1a) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2a (5-HT2a) receptor	IC50	nan	None	None
Homo sapiens	Serotonin 2a (5-HT2a) receptor	Ki	nan	None	None
Homo sapiens	Serotonin 2b (5-HT2b) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin 2b (5-HT2b) receptor	IC50	nan	None	None
Homo sapiens	Serotonin 2b (5-HT2b) receptor	Ki	nan	None	None
Homo sapiens	Serotonin 2c (5-HT2c) receptor	IC50	nan	None	None
Homo sapiens	Serotonin 2c (5-HT2c) receptor	Ki	nan	None	None
Homo sapiens	Serotonin 6 (5-HT6) receptor	IC50	nan	None	None
Homo sapiens	Serotonin 6 (5-HT6) receptor	Ki	nan	None	None
Homo sapiens	Serotonin transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin transporter	IC50	nan	None	None
Homo sapiens	Serotonin transporter	Ki	nan	None	None
Homo sapiens	SF-126	IC50	1405.65	nM	10.6019/CHEMBL1201861
Homo sapiens	SF-268	GI50	490.91	nM	None
Homo sapiens	SF-268	IC50	170.86	nM	10.6019/CHEMBL1201861
Homo sapiens	SF-295	GI	43.0	%	10.1007/s00044-010-9410-6
Homo sapiens	SF-295	GI	43.0	%	10.1016/j.bmcl.2010.01.147
Homo sapiens	SF-295	GI50	166.72	nM	None
Homo sapiens	SF-295	IC50	11.48	nM	10.6019/CHEMBL1201861
Homo sapiens	SF-295	IC50	540.0	nM	10.1021/acs.jnatprod.5b00601
Homo sapiens	SF-539	GI50	243.78	nM	None
Homo sapiens	SF-539	IC50	38.0	nM	10.1021/acs.jnatprod.5b00601
Homo sapiens	SF-539	IC50	127.02	nM	10.6019/CHEMBL1201861
Homo sapiens	SGC-7901	IC50	2050.0	nM	10.1016/j.bmcl.2013.01.112
Homo sapiens	SH-4	IC50	387.26	nM	10.6019/CHEMBL1201861
Homo sapiens	SHP77	IC50	1378.3	nM	10.6019/CHEMBL1201861
Homo sapiens	SH-SY5Y	Activity	0.0	%	10.1021/acs.jmedchem.0c00419
Homo sapiens	SIG-M5	IC50	3.524	nM	10.6019/CHEMBL1201861
Homo sapiens	Sigma opioid receptor	IC50	nan	None	None
Homo sapiens	Sigma opioid receptor	Ki	nan	None	None
Homo sapiens	SiHa	IC50	1893.4	nM	10.6019/CHEMBL1201861
Homo sapiens	SIMA	IC50	241.42	nM	10.6019/CHEMBL1201861
Homo sapiens	SJRH30	IC50	1674.2	nM	10.6019/CHEMBL1201861
Homo sapiens	SJSA-1	IC50	131.56	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-BR-3	IC50	993.0	nM	10.1021/jm950881y
Homo sapiens	SK-BR-3	IC50	1000.0	nM	10.1021/acs.jnatprod.9b00229
Homo sapiens	SK-CO-1	IC50	201.81	nM	10.6019/CHEMBL1201861
Homo sapiens	SKG-IIIa	IC50	377.38	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-HEP1	IC50	645.66	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-LMS-1	IC50	439.29	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-LU-1	IC50	2.217	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-MEL-1	IC50	1888.15	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-MEL-2	GI50	1648.16	nM	None
Homo sapiens	SK-MEL-2	IC50	3974.64	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-MEL-24	IC50	1374.23	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-MEL-28	GI50	1749.85	nM	None
Homo sapiens	SK-MEL-28	IC50	18973.1	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-MEL3	IC50	711.12	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-MEL-30	IC50	474.31	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-MEL-5	GI50	334.97	nM	None
Homo sapiens	SK-MES-1	IC50	51.12	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-MM-2	IC50	2716.95	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-N-AS	IC50	1790.73	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-N-DZ	IC50	2389.58	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-NEP-1	IC50	166.53	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-N-FI	IC50	39707.5	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-N-SH	GI	85.0	%	10.1016/j.bmcl.2008.07.048
Homo sapiens	SK-OV-3	GI50	100.0	nM	10.1021/acs.jmedchem.7b00833
Homo sapiens	SK-OV-3	GI50	1016.25	nM	None
Homo sapiens	SK-OV-3	IC50	142.64	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-OV-3	IC50	180.0	nM	10.1016/j.bmcl.2003.12.046
Homo sapiens	SK-OV-3	IC50	200.0	nM	10.1016/s0960-894x(99)00663-0
Homo sapiens	SK-OV-3	IC50	nan	None	10.1016/j.bmcl.2017.06.004
Homo sapiens	SK-PN-DW	IC50	63.76	nM	10.6019/CHEMBL1201861
Homo sapiens	SK-UT-1	IC50	82.8	nM	10.6019/CHEMBL1201861
Homo sapiens	SMMC-7721	IC50	2.44	ug.mL-1	10.1016/j.bmcl.2006.01.021
Homo sapiens	SMMC-7721	IC50	5400.0	nM	10.1021/np900120q
Homo sapiens	SMMC-7721	IC50	5600.0	nM	10.1021/np200693z
Homo sapiens	SN12C	GI50	286.42	nM	None
Homo sapiens	SN12C	IC50	3461.77	nM	10.6019/CHEMBL1201861
Homo sapiens	SN12K1	GI50	959.4	nM	None
Homo sapiens	SNB-19	GI50	295.8	nM	None
Homo sapiens	SNB-75	GI50	447.71	nM	None
Homo sapiens	SNB-75	IC50	303.46	nM	10.6019/CHEMBL1201861
Homo sapiens	SNB-78	GI50	5345.64	nM	None
Homo sapiens	SNG-M	IC50	134.17	nM	10.6019/CHEMBL1201861
Homo sapiens	SNU1	IC50	2.32	ug.mL-1	10.1016/s0960-894x(98)00603-9
Homo sapiens	SNU1	IC50	156.24	nM	10.6019/CHEMBL1201861
Homo sapiens	SNU-16	IC50	6743.09	nM	10.6019/CHEMBL1201861
Homo sapiens	SNU-387	IC50	2934.67	nM	10.6019/CHEMBL1201861
Homo sapiens	SNU-423	IC50	1521.81	nM	10.6019/CHEMBL1201861
Homo sapiens	SNU-449	IC50	3362.09	nM	10.6019/CHEMBL1201861
Homo sapiens	SNU-475	IC50	813.14	nM	10.6019/CHEMBL1201861
Homo sapiens	SNU-5	IC50	141.21	nM	10.6019/CHEMBL1201861
Homo sapiens	SNU-C1	IC50	1914.0	nM	10.6019/CHEMBL1201861
Homo sapiens	SNU-C2B	IC50	295.05	nM	10.6019/CHEMBL1201861
Homo sapiens	SR	GI50	121.62	nM	None
Homo sapiens	SR	IC50	13.46	nM	10.6019/CHEMBL1201861
Homo sapiens	ST486	IC50	494.36	nM	10.6019/CHEMBL1201861
Homo sapiens	SU-DHL-1	IC50	8.609	nM	10.6019/CHEMBL1201861
Homo sapiens	SUP-T1	IC50	110.4	nM	10.6019/CHEMBL1201861
Homo sapiens	SW1088	IC50	4668.27	nM	10.6019/CHEMBL1201861
Homo sapiens	SW13	IC50	642.49	nM	10.6019/CHEMBL1201861
Homo sapiens	SW1417	IC50	1005.45	nM	10.6019/CHEMBL1201861
Homo sapiens	SW1463	IC50	2081.69	nM	10.6019/CHEMBL1201861
Homo sapiens	SW1573	IC50	144.68	nM	10.6019/CHEMBL1201861
Homo sapiens	SW1710	IC50	72.58	nM	10.6019/CHEMBL1201861
Homo sapiens	SW1783	IC50	38.58	nM	10.6019/CHEMBL1201861
Homo sapiens	SW1990	IC50	637.05	nM	10.6019/CHEMBL1201861
Homo sapiens	SW48	IC50	193.36	nM	10.6019/CHEMBL1201861
Homo sapiens	SW480	IC50	7.0	nM	10.1021/jm00114a003
Homo sapiens	SW480	IC50	790.0	nM	10.1021/acs.jmedchem.1c01380
Homo sapiens	SW-620	GI	29.0	%	10.1016/j.bmcl.2008.07.048
Homo sapiens	SW-620	GI	55.0	%	10.1016/j.bmcl.2011.10.112
Homo sapiens	SW-620	GI50	485.29	nM	None
Homo sapiens	SW-620	IC50	39.79	nM	10.6019/CHEMBL1201861
Homo sapiens	SW-620	Inhibition	67.0	%	10.1016/j.bmcl.2007.10.011
Homo sapiens	SW626	IC50	286.22	nM	10.6019/CHEMBL1201861
Homo sapiens	SW684	IC50	112568.06	nM	10.6019/CHEMBL1201861
Homo sapiens	SW756	IC50	596.91	nM	10.6019/CHEMBL1201861
Homo sapiens	SW780	IC50	438758.0	nM	10.6019/CHEMBL1201861
Homo sapiens	SW837	IC50	276.13	nM	10.6019/CHEMBL1201861
Homo sapiens	SW872	IC50	0.676	nM	10.6019/CHEMBL1201861
Homo sapiens	SW948	IC50	3752.81	nM	10.6019/CHEMBL1201861
Homo sapiens	SW 954	IC50	44.91	nM	10.6019/CHEMBL1201861
Homo sapiens	SW 962	IC50	157.55	nM	10.6019/CHEMBL1201861
Homo sapiens	SW982	IC50	104.73	nM	10.6019/CHEMBL1201861
Homo sapiens	T-24	IC50	245.77	nM	10.6019/CHEMBL1201861
Homo sapiens	T47D	GI50	2023.02	nM	None
Homo sapiens	T47D	IC50	400.0	nM	10.1016/j.bmcl.2003.12.046
Homo sapiens	T47D	IC50	6371.91	nM	10.6019/CHEMBL1201861
Homo sapiens	T47D	IC50	16970.0	nM	10.1016/j.bmc.2015.10.028
Homo sapiens	T84	IC50	173.34	nM	10.6019/CHEMBL1201861
Homo sapiens	T98G	IC50	523.75	nM	10.6019/CHEMBL1201861
Homo sapiens	TALL-1	IC50	2395.5	nM	10.6019/CHEMBL1201861
Homo sapiens	TCC-SUP	IC50	481.7	nM	10.6019/CHEMBL1201861
Homo sapiens	TE-1	IC50	165.38	nM	10.6019/CHEMBL1201861
Homo sapiens	TE-10	IC50	72.6	nM	10.6019/CHEMBL1201861
Homo sapiens	TE-11	IC50	91.77	nM	10.6019/CHEMBL1201861
Homo sapiens	TE-12	IC50	189.83	nM	10.6019/CHEMBL1201861
Homo sapiens	TE-15	IC50	73.7	nM	10.6019/CHEMBL1201861
Homo sapiens	TE-441-T	IC50	1602.76	nM	10.6019/CHEMBL1201861
Homo sapiens	TE-5	IC50	132.24	nM	10.6019/CHEMBL1201861
Homo sapiens	TE-6	IC50	893.67	nM	10.6019/CHEMBL1201861
Homo sapiens	TE-8	IC50	35.86	nM	10.6019/CHEMBL1201861
Homo sapiens	TE-9	IC50	500.49	nM	10.6019/CHEMBL1201861
Homo sapiens	TGBC1TKB	IC50	1211.41	nM	10.6019/CHEMBL1201861
Homo sapiens	TGBC24TKB	IC50	710.0	nM	10.6019/CHEMBL1201861
Homo sapiens	TGW	IC50	2758.03	nM	10.6019/CHEMBL1201861
Homo sapiens	THP-1	Activity	nan	None	10.1007/s00044-012-0424-0
Homo sapiens	THP-1	GI	65.0	%	10.1007/s00044-012-0312-7
Homo sapiens	THP-1	IC50	100.0	nM	10.1016/j.ejmech.2014.09.049
Homo sapiens	THP-1	IC50	595.5	nM	10.6019/CHEMBL1201861
Homo sapiens	THP-1	IC50	1500.0	nM	10.1007/s00044-012-0424-0
Homo sapiens	THP-1	IC50	1500.0	nM	10.1039/C3MD00055A
Homo sapiens	Thrombin	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Thromboxane A2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Thromboxane-A synthase	IC50	nan	None	None
Homo sapiens	Thromboxane-A synthase	Ki	nan	None	None
Homo sapiens	TK-10	GI50	4864.07	nM	None
Homo sapiens	TK-10	IC50	528.32	nM	10.6019/CHEMBL1201861
Homo sapiens	TT	IC50	3677.75	nM	10.6019/CHEMBL1201861
Homo sapiens	Tumor Cell line	GI50	831.76	nM	10.1021/jm049863j
Homo sapiens	TUR	IC50	189.67	nM	10.6019/CHEMBL1201861
Homo sapiens	TYK-nu	IC50	58.73	nM	10.6019/CHEMBL1201861
Homo sapiens	Tyrosine-protein kinase FYN	IC50	nan	None	None
Homo sapiens	Tyrosine-protein kinase FYN	Ki	nan	None	None
Homo sapiens	Tyrosine-protein kinase LCK	IC50	nan	None	None
Homo sapiens	Tyrosine-protein kinase LCK	Ki	nan	None	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	9.2	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	580.5	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	730.8	nM	None
Homo sapiens	U-118-MG	IC50	3142.84	nM	10.6019/CHEMBL1201861
Homo sapiens	U-251	GI50	354.0	nM	None
Homo sapiens	U-251	IC50	128.73	nM	10.6019/CHEMBL1201861
Homo sapiens	U-266	IC50	866.18	nM	10.6019/CHEMBL1201861
Homo sapiens	U2OS	IC50	8450.0	nM	10.1021/acs.jmedchem.1c01380
Homo sapiens	U2OS	IC50	23698.65	nM	10.6019/CHEMBL1201861
Homo sapiens	U-698-M	IC50	1602.91	nM	10.6019/CHEMBL1201861
Homo sapiens	U-87 MG	GI50	1800.0	nM	10.1021/acs.jmedchem.7b00833
Homo sapiens	U-87 MG	IC50	0.97	ug.mL-1	10.1021/jm010090y
Homo sapiens	U-87 MG	IC50	1273.72	nM	10.6019/CHEMBL1201861
Homo sapiens	UACC-257	GI50	1207.81	nM	None
Homo sapiens	UACC-257	IC50	1565.66	nM	10.6019/CHEMBL1201861
Homo sapiens	UACC-62	GI50	131.22	nM	None
Homo sapiens	UACC-62	IC50	2155.33	nM	10.6019/CHEMBL1201861
Homo sapiens	UACC-812	IC50	16830.61	nM	10.6019/CHEMBL1201861
Homo sapiens	UACC-893	IC50	418.01	nM	10.6019/CHEMBL1201861
Homo sapiens	UMC-11	IC50	567.01	nM	10.6019/CHEMBL1201861
Homo sapiens	UMUC3	IC50	101.83	nM	10.6019/CHEMBL1201861
Homo sapiens	UO-31	GI50	1866.38	nM	None
Homo sapiens	UO-31	IC50	365.8	nM	10.6019/CHEMBL1201861
Homo sapiens	VA-ES-BJ	IC50	52.16	nM	10.6019/CHEMBL1201861
Homo sapiens	Vascular endothelial growth factor receptor 1	IC50	nan	None	None
Homo sapiens	Vascular endothelial growth factor receptor 1	Ki	nan	None	None
Homo sapiens	Vasoactive intestinal polypeptide receptor 1	IC50	nan	None	None
Homo sapiens	Vasoactive intestinal polypeptide receptor 1	Ki	nan	None	None
Homo sapiens	Vasopressin V1a receptor	IC50	nan	None	None
Homo sapiens	Vasopressin V1a receptor	Ki	nan	None	None
Homo sapiens	VM-CUB-1	IC50	260.82	nM	10.6019/CHEMBL1201861
Homo sapiens	VMRC-RCZ	IC50	198.77	nM	10.6019/CHEMBL1201861
Homo sapiens	WiDr	ED50	0.15	ug ml-1	10.1016/j.bmc.2010.01.036
Homo sapiens	WiDr	ED50	0.18	uM	10.1021/np8005327
Homo sapiens	WiDr	ED50	0.35	ug ml-1	10.1021/np058110c
Homo sapiens	WiDr	IC50	10.0	nM	10.1021/jm00114a003
Homo sapiens	WiDr	ID50	31.0	ng ml-1	10.1021/jm00127a035
Homo sapiens	WM-115	IC50	84237.74	nM	10.6019/CHEMBL1201861
Homo sapiens	WSU-NHL	IC50	192.04	nM	10.6019/CHEMBL1201861
Homo sapiens	XF498	GI50	1127.2	nM	None
Homo sapiens	YAPC	IC50	4367.51	nM	10.6019/CHEMBL1201861
Homo sapiens	YKG-1	IC50	545.0	nM	10.6019/CHEMBL1201861
Homo sapiens	YT	IC50	463.33	nM	10.6019/CHEMBL1201861
Homo sapiens	ZR-75-1	Inhibition	51.26	%	10.1016/j.bmcl.2010.10.100
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	10000.0	nM	10.6019/CHEMBL4296182
Micrococcus luteus	Micrococcus luteus	IC50	900.0	nM	10.1016/j.ejmech.2016.03.042
Micrococcus luteus	Micrococcus luteus	MBC	1.9	ug ml-1	10.1016/j.ejmech.2016.03.042
Micrococcus luteus	Micrococcus luteus	MIC	0.9	ug.mL-1	10.1016/j.ejmech.2016.03.042
Mus musculus	B16	Average weight change	-2.2	g	10.1021/jm00355a004
Mus musculus	B16	Average weight change	-1.1	g	10.1021/jm00355a004
Mus musculus	B16	Average weight change	-0.7	g	10.1021/jm00355a004
Mus musculus	B16	Average weight change	-0.1	g	10.1021/jm00364a018
Mus musculus	B16	Average weight change	0.2	g	10.1021/jm00364a018
Mus musculus	B16	Average weight change	0.5	g	10.1021/jm00364a018
Mus musculus	B16	Cures	0.0	None	10.1021/jm00355a004
Mus musculus	B16	Cures	0.0	None	10.1021/jm00364a018
Mus musculus	B16	Cures	nan	None	10.1021/jm00355a004
Mus musculus	B16	IC50	3.6	ug.mL-1	10.1021/jm00128a030
Mus musculus	B16	MST	27.0	day	10.1039/c4md00055b
Mus musculus	B16	T/C	127.0	%	10.1021/jm00355a004
Mus musculus	B16	T/C	152.0	%	10.1021/jm00364a018
Mus musculus	B16	T/C	155.0	%	10.1021/jm00364a018
Mus musculus	B16	T/C	160.0	%	10.1021/jm00355a004
Mus musculus	B16	T/C	165.0	%	10.1021/jm00364a018
Mus musculus	B16	T/C	190.0	%	10.1021/jm00355a004
Mus musculus	B16	T/C	200.0	%	10.1021/jm00364a018
Mus musculus	B16-F10	IC50	1.5	ug.mL-1	10.1021/jm00128a030
Mus musculus	CCRF S-180	ED50	1.7	mg.kg-1	10.1021/jm00038a009
Mus musculus	CCRF S-180	ED50	4.4	ug ml-1	10.1016/j.ejmech.2009.05.013
Mus musculus	CCRF S-180	OD	6.0	mg kg-1	10.1021/jm00038a009
Mus musculus	CCRF S-180	T/C	0.26	min	10.1021/jm00038a009
Mus musculus	Dihydrofolate reductase	Log 1/C	7.11	None	10.1021/jm00369a019
Mus musculus	Dihydrofolate reductase	Log 1/C	7.13	None	10.1021/jm00369a019
Mus musculus	EL4	IC50	3.94	ug.mL-1	10.1021/jm020119d
Mus musculus	EL4	IC50	60.0	nM	10.1021/acs.jmedchem.5b01380
Mus musculus	EMT6	ED50	0.001	uM	10.1021/jm00185a019
Mus musculus	EMT6	ED50	0.7	uM	10.1021/jm00185a019
Mus musculus	L1210	Activity	2.0	mg kg-1	10.1021/jm00191a006
Mus musculus	L1210	Average weight change	-3.6	g	10.1021/jm00142a013
Mus musculus	L1210	Average weight change	-2.4	g	10.1021/jm00142a013
Mus musculus	L1210	Average weight change	-1.2	g	10.1021/jm00142a013
Mus musculus	L1210	DOSE	3.0	mg.kg-1	10.1021/jm00355a004
Mus musculus	L1210	IC50	0.02	ug.mL-1	10.1021/np020497l
Mus musculus	L1210	IC50	90.0	nM	10.1021/jm00111a004
Mus musculus	L1210	IC50	600.0	nM	10.1016/0960-894X(95)00353-U
Mus musculus	L1210	IC50	600.0	nM	10.1016/S0960-894X(97)00100-5
Mus musculus	L1210	IC50	1500.0	nM	10.1021/jm00111a004
Mus musculus	L1210	ID50	1.82e-07	M	10.1021/jm00403a016
Mus musculus	L1210	ID50	3.1e-06	M	10.1021/jm00403a016
Mus musculus	L1210	ID50	31.0	ng ml-1	10.1021/jm00127a035
Mus musculus	L1210	Log CR	1.89	None	10.1021/jm00169a014
Mus musculus	L1210	MED	0.9	mg kg-1	10.1021/jm00191a006
Mus musculus	L1210	MED	3.0	mg kg-1	10.1021/jm00355a004
Mus musculus	L1210	MST	118.0	day	10.1021/jm00160a012
Mus musculus	L1210	MST	146.0	day	10.1021/jm00160a012
Mus musculus	L1210	Survival	1.0	%	10.1021/jm00403a016
Mus musculus	L1210	Survival	2.0	%	10.1021/jm00403a016
Mus musculus	L1210	Survival	7.0	%	10.1021/jm00403a016
Mus musculus	L1210	Survival	52.0	%	10.1021/jm00403a016
Mus musculus	L1210	Survival	73.0	%	10.1021/jm00403a016
Mus musculus	L1210	Survival	89.0	%	10.1021/jm00403a016
Mus musculus	L1210	Survival	98.0	%	10.1021/jm00403a016
Mus musculus	L1210	Survival	100.0	%	10.1021/jm00403a016
Mus musculus	L1210	T/C	108.0	%	10.1021/jm00142a013
Mus musculus	L1210	T/C	110.0	%	10.1021/jm00142a013
Mus musculus	L1210	T/C	116.0	%	10.1021/jm00160a012
Mus musculus	L1210	T/C	118.0	%	10.1021/jm00160a012
Mus musculus	L1210	T/C	122.0	%	10.1021/jm00142a013
Mus musculus	L1210	T/C	124.0	%	10.1021/jm00142a013
Mus musculus	L1210	T/C	124.0	%	10.1021/jm00355a004
Mus musculus	L1210	TI	2.2	None	10.1021/jm00191a006
Mus musculus	Mus musculus	Active/total	nan	None	10.1021/jm00127a035
Mus musculus	Mus musculus	Activity	-2.3	g	10.1021/jm00216a006
Mus musculus	Mus musculus	Activity	-0.8	g	10.1021/jm00216a006
Mus musculus	Mus musculus	Activity	0.0	g	10.1021/jm00216a006
Mus musculus	Mus musculus	Activity	0.0	None	10.1016/j.ejmech.2007.08.010
Mus musculus	Mus musculus	Activity	0.1	g	10.1021/jm00216a006
Mus musculus	Mus musculus	Activity	0.3	g	10.1021/jm00216a006
Mus musculus	Mus musculus	Activity	5.49	%	10.1016/j.ejmech.2007.08.010
Mus musculus	Mus musculus	Activity	10.0	None	10.1016/j.ejmech.2007.08.010
Mus musculus	Mus musculus	Activity	11.0	None	10.1016/j.ejmech.2007.08.010
Mus musculus	Mus musculus	Activity	13.0	None	10.1016/j.ejmech.2007.08.010
Mus musculus	Mus musculus	Activity	46.67	%	10.1016/j.ejmech.2007.08.010
Mus musculus	Mus musculus	Average tumor volume	0.169	T/C	10.1021/jm950881y
Mus musculus	Mus musculus	Average tumor volume	0.356	T/C	10.1021/jm950881y
Mus musculus	Mus musculus	Average tumor volume	0.363	T/C	10.1021/jm950881y
Mus musculus	Mus musculus	Average tumor volume	0.437	T/C	10.1021/jm950881y
Mus musculus	Mus musculus	Average tumor volume	0.49	T/C	10.1021/jm950881y
Mus musculus	Mus musculus	Average tumor volume	0.515	T/C	10.1021/jm950881y
Mus musculus	Mus musculus	Average tumor volume	411.0	T/C	10.1021/jm950881y
Mus musculus	Mus musculus	Average weight change	-2.7	mg kg-1	10.1021/jm950881y
Mus musculus	Mus musculus	Average weight change	-2.2	mg kg-1	10.1021/jm950881y
Mus musculus	Mus musculus	Average weight change	-1.8	mg kg-1	10.1021/jm950881y
Mus musculus	Mus musculus	Average weight change	-1.2	mg kg-1	10.1021/jm950881y
Mus musculus	Mus musculus	Average weight change	0.2	g	10.1021/jm00145a013
Mus musculus	Mus musculus	Average weight change	0.2	mg kg-1	10.1021/jm950881y
Mus musculus	Mus musculus	Average weight change	0.3	g	10.1021/jm00145a013
Mus musculus	Mus musculus	Average weight change	0.5	g	10.1021/jm00145a013
Mus musculus	Mus musculus	Average weight change	0.6	mg kg-1	10.1021/jm950881y
Mus musculus	Mus musculus	Average weight change	0.7	g	10.1021/jm00145a013
Mus musculus	Mus musculus	Average weight change	0.8	g	10.1021/jm00145a013
Mus musculus	Mus musculus	Average weight change	2.2	g	10.1021/jm00145a013
Mus musculus	Mus musculus	Average weight gain	-0.1	g	10.1021/jm00371a026
Mus musculus	Mus musculus	Average weight gain	-0.1	None	10.1021/jm00371a026
Mus musculus	Mus musculus	Average weight gain	0.2	g	10.1021/jm00371a026
Mus musculus	Mus musculus	Average weight gain	0.5	g	10.1021/jm00371a026
Mus musculus	Mus musculus	Body weight	nan	None	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	BW	96.0	%	10.1021/jm00127a035
Mus musculus	Mus musculus	BW	106.0	%	10.1021/jm00127a035
Mus musculus	Mus musculus	BWC	-18.1	%	10.1021/jm00127a035
Mus musculus	Mus musculus	BWC	-8.0	%	10.1021/jm00127a035
Mus musculus	Mus musculus	BWC	-5.4	%	10.1021/jm00127a035
Mus musculus	Mus musculus	BWC	108.4	%	10.1021/jm00127a035
Mus musculus	Mus musculus	BWC	108.5	%	10.1021/jm00127a035
Mus musculus	Mus musculus	BWC	108.9	%	10.1021/jm00127a035
Mus musculus	Mus musculus	Change	-67.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	Change	-58.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	Change	-57.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	Change	-55.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	Change	-53.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	Change	-48.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	Change	-42.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	Change	-42.0	%	10.1021/jm00371a026
Mus musculus	Mus musculus	Change	-38.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	Change	-26.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	Change	-1.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	Cures	0.0	None	10.1021/jm00371a026
Mus musculus	Mus musculus	E1/2	-0.45	None	10.1021/jm00140a012
Mus musculus	Mus musculus	ED50	1.6	mg.kg-1	10.1021/jm00016a005
Mus musculus	Mus musculus	ED50	3.7	mg.kg-1	10.1021/jm00038a008
Mus musculus	Mus musculus	ED50	4.4	mg.kg-1	10.1021/jm00062a019
Mus musculus	Mus musculus	I	88.4	%	10.1021/jm00127a035
Mus musculus	Mus musculus	I	92.6	%	10.1021/jm00127a035
Mus musculus	Mus musculus	ILS	23.0	%	10.1021/jm00038a008
Mus musculus	Mus musculus	ILS	84.0	%	10.1021/jm00038a008
Mus musculus	Mus musculus	ILS	136.0	%	10.1021/jm50001a015
Mus musculus	Mus musculus	ILS	400.0	%	10.1021/jm50001a015
Mus musculus	Mus musculus	ILS max	52.0	%	10.1021/jm00093a010
Mus musculus	Mus musculus	In/Fi	nan	None	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Inhibition	52.69	%	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Inhibition	58.0	%	10.1021/jm0100032
Mus musculus	Mus musculus	Inhibition	63.49	%	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Inhibition	67.9	%	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Inhibition	70.1	%	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Inhibition	79.24	%	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Inhibition	87.54	%	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Inhibition	100.0	%	10.1016/S0960-894X(01)80148-7
Mus musculus	Mus musculus	LD50	8.4	mg.kg-1	10.1021/jm00062a019
Mus musculus	Mus musculus	LD50	8.4	ug ml-1	10.1016/j.ejmech.2009.05.013
Mus musculus	Mus musculus	MED	0.2	mg kg-1	10.1021/jm00140a012
Mus musculus	Mus musculus	MED	0.2	mg kg-1	10.1021/jm00403a021
Mus musculus	Mus musculus	MST	21.0	day	10.1021/jm00127a035
Mus musculus	Mus musculus	MST	34.0	day	10.1021/jm00127a035
Mus musculus	Mus musculus	No. survived	8.0	None	10.1021/jm0100032
Mus musculus	Mus musculus	OD	3.2	mg kg-1	10.1021/jm00159a033
Mus musculus	Mus musculus	OD	6.0	mg kg-1	10.1021/jm00038a008
Mus musculus	Mus musculus	Relative TS	17.0	%	10.1021/jm00127a035
Mus musculus	Mus musculus	Survivors	1.0	None	10.1021/jm00140a012
Mus musculus	Mus musculus	T/C	0.27	min	10.1021/jm00016a005
Mus musculus	Mus musculus	T/C	0.46	min	10.1021/jm00038a008
Mus musculus	Mus musculus	T/C	2.6	%	10.1021/jm00127a035
Mus musculus	Mus musculus	T/C	4.1	%	10.1021/jm00127a035
Mus musculus	Mus musculus	T/C	7.4	%	10.1021/jm00127a035
Mus musculus	Mus musculus	T/C	9.9	%	10.1021/jm00127a035
Mus musculus	Mus musculus	T/C	11.6	%	10.1021/jm00127a035
Mus musculus	Mus musculus	T/C	60.0	%	10.1021/jm00127a035
Mus musculus	Mus musculus	T/C	81.0	%	10.1021/jm00127a035
Mus musculus	Mus musculus	T/C	120.0	%	10.1021/jm00145a013
Mus musculus	Mus musculus	T/C	122.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	T/C	130.0	%	10.1021/jm00145a013
Mus musculus	Mus musculus	T/C	132.0	%	10.1021/jm00159a033
Mus musculus	Mus musculus	T/C	135.0	%	10.1021/jm00145a013
Mus musculus	Mus musculus	T/C	136.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	T/C	144.0	%	10.1021/jm00371a026
Mus musculus	Mus musculus	T/C	150.0	%	10.1021/jm00145a013
Mus musculus	Mus musculus	T/C	152.0	%	10.1021/jm00371a026
Mus musculus	Mus musculus	T/C	155.0	%	10.1021/jm00371a026
Mus musculus	Mus musculus	T/C	159.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	T/C	164.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	T/C	165.0	%	10.1021/jm00371a026
Mus musculus	Mus musculus	T/C	178.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	T/C	191.0	%	10.1021/jm00127a035
Mus musculus	Mus musculus	T/C	193.0	%	10.1021/jm00140a012
Mus musculus	Mus musculus	T/C	195.0	%	10.1021/jm00145a013
Mus musculus	Mus musculus	T/C	200.0	%	10.1021/jm00371a026
Mus musculus	Mus musculus	T/C	205.0	%	10.1021/jm00145a013
Mus musculus	Mus musculus	T/C	309.0	%	10.1021/jm00127a035
Mus musculus	Mus musculus	TGIR	8.6	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	29.7	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	35.2	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	38.8	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	48.6	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	51.2	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	52.8	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	53.9	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	59.7	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	60.0	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	68.1	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	75.1	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	80.0	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	80.1	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	83.2	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	85.1	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	86.0	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	89.7	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	90.0	%	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	TGIR	nan	None	10.1016/0960-894X(95)00098-E
Mus musculus	Mus musculus	Tumor volume	3.3	cm*3	10.1016/j.bmcl.2004.02.080
Mus musculus	Mus musculus	Tumor volume	4.2	cm*3	10.1016/j.bmcl.2004.02.080
Mus musculus	Mus musculus	Tumor weight	0.14	g	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Tumor weight	0.52	g	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Tumor weight	0.57	g	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Tumor weight	0.62	g	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Tumor weight	0.71	g	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Tumor weight	1.15	g	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Tumor weight	1.25	g	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Tumor weight	1.62	g	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Tumor weight	1.71	g	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Tumor weight	1.91	g	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Tumor weight	2.64	g	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Tumor weight	3.43	g	10.1016/s0960-894x(99)00472-2
Mus musculus	Mus musculus	Tumor weight	455.0	mg	10.1021/jm0100032
Mus musculus	Mus musculus	Weight change	-4.8	g	10.1021/jm00160a012
Mus musculus	Mus musculus	Weight change	-3.3	g	10.1021/jm00160a012
Mus musculus	Mus musculus	Weight change	-0.9	g	10.1021/jm00160a012
Mus musculus	Mus musculus	Weight change	-0.8	g	10.1021/jm00160a012
Mus musculus	NIH3T3	IC50	1700.0	nM	10.1021/jm010511b
Mus musculus	NIH3T3	Inhibition	88.0	%	10.1021/jm010511b
Mus musculus	Nitric oxide synthase, inducible	IC50	nan	None	None
Mus musculus	Nitric oxide synthase, inducible	Ki	nan	None	None
Mus musculus	P388	Activity	43.0	%	10.1021/np0340394
Mus musculus	P388	Activity	nan	None	10.1021/jm00216a006
Mus musculus	P388	Activity	nan	None	10.1021/np50063a010
Mus musculus	P388	Change in WBC	-42.0	%	10.1021/jm00355a004
Mus musculus	P388	Change in WBC	42.0	%	10.1021/jm00364a018
Mus musculus	P388	DOSE	3.2	mg.kg-1	10.1021/jm00355a004
Mus musculus	P388	DOSE	3.2	mg.kg-1	10.1021/jm00364a018
Mus musculus	P388	GI	43.0	%	10.1021/np990492x
Mus musculus	P388	GI50	181.13	nM	None
Mus musculus	P388	IC50	0.01	ug.mL-1	10.1016/S0960-894X(97)00071-1
Mus musculus	P388	IC50	0.02	ug.mL-1	10.1021/np50099a002
Mus musculus	P388	IC50	0.06	ug.mL-1	10.1016/s0960-894x(98)00603-9
Mus musculus	P388	IC50	0.15	ug.mL-1	10.1016/j.bmc.2007.05.049
Mus musculus	P388	IC50	1.5	ug.mL-1	10.1021/jm020119d
Mus musculus	P388	IC50	50.8	nM	10.1021/jm00111a051
Mus musculus	P388	IC50	60.0	nM	10.1021/acs.jmedchem.5b01380
Mus musculus	P388	IC50	3000.0	nM	10.1021/np50063a010
Mus musculus	P388	ILS	3.0	%	10.1021/jm00399a014
Mus musculus	P388	IZ	5.0	mm	10.1021/np50063a010
Mus musculus	P388	IZ	25.0	mm	10.1021/np50063a010
Mus musculus	P388	MED	0.2	mg kg-1	10.1021/jm00159a033
Mus musculus	P388	MED	0.2	mg kg-1	10.1021/jm00355a004
Mus musculus	P388	MED	0.2	mg kg-1	10.1021/jm00364a018
Mus musculus	P388	MED	0.2	mg kg-1	10.1021/jm00371a026
Mus musculus	P388	OD	3.2	mg kg-1	10.1021/jm00371a026
Mus musculus	P388	T/C	0.0	%	10.1021/jm00355a004
Mus musculus	P388	T/C	120.0	%	10.1021/jm00216a006
Mus musculus	P388	T/C	125.0	%	10.1021/jm00216a006
Mus musculus	P388	T/C	130.0	%	10.1021/jm00216a006
Mus musculus	P388	T/C	161.0	%	10.1021/jm00355a004
Mus musculus	P388	T/C	161.0	%	10.1021/jm00364a018
Mus musculus	P388	T/C	175.0	%	10.1021/jm00216a006
Mus musculus	P388	T/C	270.0	%	10.1021/jm00216a006
Mus musculus	P388	T/C	283.0	%	10.1021/jm00203a020
Mus musculus	P388	Therapeutic ratio	16.0	None	10.1021/jm00371a026
Mus musculus	P388/ADR	Dose	1.0	None	10.1021/jm00403a010
Mus musculus	P388/ADR	GI50	1386.76	nM	None
Mus musculus	P388/ADR	IC50	535.0	nM	10.1021/jm00026a014
Mus musculus	P388/ADR	ILS	400.0	%	10.1021/jm00403a010
Mus musculus	P388/ADR	MST	45.0	day	10.1021/jm00403a010
Mus musculus	P388/S	IC50	48.0	nM	10.1021/jm00026a014
Oryctolagus cuniculus	Angiotensin-converting enzyme	IC50	nan	None	None
Oryctolagus cuniculus	Angiotensin-converting enzyme	Ki	nan	None	None
Oryctolagus cuniculus	Arachidonate 15-lipoxygenase	IC50	nan	None	None
Oryctolagus cuniculus	Arachidonate 15-lipoxygenase	Ki	nan	None	None
Plasmodium falciparum	Plasmodium falciparum	Potency	5221.3	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	13115.4	nM	None
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	1.9	ug.mL-1	10.1016/j.ejmech.2016.03.042
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	10000.0	nM	10.6019/CHEMBL4296182
Raoultella planticola	Raoultella planticola	IC50	1100.0	nM	10.1016/j.ejmech.2016.03.042
Raoultella planticola	Raoultella planticola	MBC	3.9	ug ml-1	10.1016/j.ejmech.2016.03.042
Raoultella planticola	Raoultella planticola	MIC	1.9	ug.mL-1	10.1016/j.ejmech.2016.03.042
Rattus norvegicus	Aldose reductase	IC50	nan	None	None
Rattus norvegicus	Aldose reductase	Ki	nan	None	None
Rattus norvegicus	Alpha-1a adrenergic receptor	IC50	nan	None	None
Rattus norvegicus	Alpha-1a adrenergic receptor	Ki	nan	None	None
Rattus norvegicus	Alpha-1b adrenergic receptor	IC50	nan	None	None
Rattus norvegicus	Alpha-1b adrenergic receptor	Ki	nan	None	None
Rattus norvegicus	Androgen Receptor	IC50	nan	None	None
Rattus norvegicus	Androgen Receptor	Ki	nan	None	None
Rattus norvegicus	C6	Activity	nan	None	10.1021/np960144k
Rattus norvegicus	GABA receptor alpha-1 subunit	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Rattus norvegicus	Glycine receptor	IC50	nan	None	None
Rattus norvegicus	Glycine receptor	Ki	nan	None	None
Rattus norvegicus	Insulin receptor	IC50	nan	None	None
Rattus norvegicus	Insulin receptor	Ki	nan	None	None
Rattus norvegicus	Nitric-oxide synthase, brain	IC50	nan	None	None
Rattus norvegicus	Nitric-oxide synthase, brain	Ki	nan	None	None
Rattus norvegicus	Rattus norvegicus	ALB	33700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	40300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	40800.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	42700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALB	43300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	94.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	211.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	285.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	310.17	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	324.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALP	339.83	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	21.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	35.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	43.5	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	47.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	51.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	ALT	53.17	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	57.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	72.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	76.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	78.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	83.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	AST	87.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BASO	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BASOLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	1.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	1.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BILI	1.8	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	133.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	143.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	150.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	160.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	163.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	BUN	170.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	98.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	99.0	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	99.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	100.33	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHLORIDE	101.67	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	673.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	693.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	713.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	720.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	746.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CHOL	846.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	203.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	218.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	245.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	265.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	284.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CK	285.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	29330000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	30670000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	31000000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CO2	32500000.0	nM	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	1.5	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	2.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	2.2	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	2.6	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	CREAT	3.4	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	26.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	31.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOS	31.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	EOSLE	0.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1286.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1366.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1453.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1540.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	GLUC	1551.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	33.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	33.77	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	33.9	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	34.47	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	36.83	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HCT	38.97	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	130500.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	131700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	134300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	136300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	143300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	HGB	149000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	100.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	110.33	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	114.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	120.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	136.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LDH	173.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	8.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	9.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	10.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	11.0	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LIPASE	11.67	U.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	2370.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	7026.17	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	7497.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	7760.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	8042.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYM	8334.17	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	78.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	86.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	92.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	92.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	94.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	LYMLE	96.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	23.4	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.0	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.03	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.13	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.23	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCH	24.6	pg	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	382300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	386700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	389000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	391500.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	395700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCHC	396300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	60.2	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	61.07	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	61.4	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	62.05	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	62.07	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MCV	63.33	fL	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	0.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	22.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	29.5	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	44.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	56.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONO	67.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	0.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	0.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	0.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	MONOLE	2.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	3.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	5.33	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	6.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	7.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	13.0	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTLE	19.67	%	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	286.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	379.5	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	593.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	601.67	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	663.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	NEUTSG	1104.33	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	87.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	105.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	108.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	112.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	115.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PHOS	117.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	888670.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	987000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1062500.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1302330.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1554000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PLAT	1626670.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	4.84	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	4.86	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	5.5	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	5.56	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	5.62	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	POTASSIUM	6.34	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	51300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	56000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	58300.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	59000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	59700.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	PROT	62000.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5440000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5470000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5490000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	5650000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	6120000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBC	6150000.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.0	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.17	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	RBCNUC	0.67	/100WBC	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	141.2	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	143.12	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	144.1	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	144.12	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	144.3	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	SODIUM	145.67	mEq.L-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	Tissue Severity Score	nan	None	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	5.7	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	6.3	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	8.8	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	12.8	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	URATE	16.0	ug.mL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	3100.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	7450.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	8100.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	8630.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	8700.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Rattus norvegicus	WBC	8980.0	cells.uL-1	10.6019/CHEMBL3885881
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	IC50	nan	None	None
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Ki	nan	None	None
Rattus norvegicus	Serotonin 1b (5-HT1b) receptor	IC50	nan	None	None
Rattus norvegicus	Serotonin 1b (5-HT1b) receptor	Ki	nan	None	None
Rattus norvegicus	XC	IC50	nan	None	10.1021/np0104525
Salmonella enterica subsp. enterica serovar Typhimurium	Salmonella typhimurium	Activity_index	1828.67	None	10.1016/j.ejmech.2015.06.005
Salmonella enterica subsp. enterica serovar Typhimurium	Salmonella typhimurium	Activity_index	2714.5	None	10.1016/j.ejmech.2015.06.005
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	8.481	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Hit score	0.1793	None	10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	0.75	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	6.4	%	10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition index	-0.0611	None	10.1101/2020.04.03.023846
Staphylococcus aureus	Staphylococcus aureus	EC50	330.0	nM	10.1016/j.bmc.2019.06.025
Staphylococcus aureus	Staphylococcus aureus	EC50	nan	None	10.1016/j.bmc.2019.06.025
Staphylococcus aureus	Staphylococcus aureus	IC50	900.0	nM	10.1016/j.ejmech.2016.03.042
Staphylococcus aureus	Staphylococcus aureus	IC50	1100.0	nM	10.1016/j.ejmech.2016.03.042
Staphylococcus aureus	Staphylococcus aureus	MBC	1.9	ug ml-1	10.1016/j.ejmech.2016.03.042
Staphylococcus aureus	Staphylococcus aureus	MBC	3.9	ug ml-1	10.1016/j.ejmech.2016.03.042
Staphylococcus aureus	Staphylococcus aureus	MIC	0.5	ug.mL-1	10.1016/j.ejmech.2017.07.010
Staphylococcus aureus	Staphylococcus aureus	MIC	1.9	ug.mL-1	10.1016/j.ejmech.2016.03.042
Staphylococcus aureus	Staphylococcus aureus	MIC	4.0	ug.mL-1	10.1016/j.ejmech.2017.07.010
Staphylococcus aureus	Staphylococcus aureus	MIC	156.3	nM	10.6019/CHEMBL4296182
Streptomyces	Streptomyces	IZ	30.0	mm	10.1021/np0603424
Trypanosoma brucei brucei	Trypanosoma brucei brucei	IC50	1000.0	nM	10.1021/jm4004279
None	ADMET	Activity	32.0	%	10.1016/j.bmcl.2013.06.052
None	ADMET	Activity	133.7	None	10.1016/j.bmc.2019.07.029
None	ADMET	Activity	261.3	None	10.1016/j.bmc.2019.07.029
None	ADMET	Activity	3499.0	None	10.1021/np900322c
None	ADMET	Activity_index	2.52	None	10.1016/j.bmcl.2019.126679
None	ADMET	Activity_index	nan	None	10.1016/j.bmcl.2019.126679
None	ADMET	Drug metabolism	nan	None	10.1016/j.bmc.2016.06.041
None	ADMET	E1/2	0.45	None	10.1021/jm00364a018
None	ADMET	EC50	560.0	nM	10.1016/j.bmc.2009.07.039
None	ADMET	EC50	930.0	nM	10.1016/j.bmc.2009.07.039
None	ADMET	EC50	930.0	nM	10.1016/j.bmcl.2007.10.005
None	ADMET	EC50	960.0	nM	10.1016/j.bmc.2009.07.039
None	ADMET	EC50	1460.0	nM	10.1016/j.bmc.2009.07.039
None	ADMET	EC50	1460.0	nM	10.1016/j.bmcl.2007.10.005
None	ADMET	EC50	2100.0	nM	10.1016/j.bmc.2009.07.039
None	ADMET	EC50	2100.0	nM	10.1016/j.bmcl.2007.10.005
None	ADMET	IC50	0.1	ug.mL-1	10.1016/j.bmcl.2010.01.095
None	ADMET	IC50	460.0	nM	10.1016/j.bmc.2012.03.063
None	ADMET	IC50	900.0	nM	10.1016/j.ejmech.2010.01.026
None	ADMET	Ratio	1.9	None	10.1016/j.ejmech.2020.113100
None	ADMET	Ratio	12.9	None	10.1016/j.ejmech.2020.113100
None	ADMET	TR	16.0	None	10.1021/jm00140a012
None	ADMET	TR	16.0	None	10.1021/jm00355a004
None	BC1 cell line	IC50	88.81	nM	10.6019/CHEMBL1201861
None	Bone marrow cell	Activity	5.49	%	10.1016/j.bmc.2011.11.024
None	Bone marrow cell	Activity	7.29	%	10.1016/j.bmc.2011.11.024
None	Bone marrow cell	Activity	15.8	%	10.1016/j.bmc.2011.11.024
None	Bone marrow cell	Activity	24.9	%	10.1016/j.bmc.2011.11.024
None	Bone marrow cell	Activity	30.5	%	10.1016/j.bmc.2011.11.024
None	Bone marrow cell	Activity	75.1	%	10.1016/j.bmc.2011.11.024
None	Clone 62	IC50	1500.0	nM	10.1021/jm970108y
None	Hepatotoxicity	Hepatotoxicity	nan	None	10.1021/tx900326k
None	Hepatotoxicity	HepSE_bilirubinemia	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_cholecystitis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_cholelithiasis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_cirrhosis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_Combined Scores	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_elevated liver function tests	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatic failure	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatic necrosis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatitis	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_hepatomegaly	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_jaundice	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_liver disease	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_liver fatty	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	HepSE_liver function tests abnormal	0.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	LTKB_BD DILI severity score	nan	None	10.1016/j.drudis.2011.05.007
None	Lymphocyte	Activity	2.98	%	10.1021/acs.jmedchem.7b00621
None	Lymphocyte	Activity	5.26	%	10.1021/acs.jmedchem.7b00621
None	Lymphocyte	Activity	6.76	%	10.1021/acs.jmedchem.7b00621
None	Lymphocyte	Activity	11.25	%	10.1016/j.ejmech.2011.01.071
None	NON-PROTEIN TARGET	Activity	0.0	%	10.1016/j.bmc.2016.08.050
None	NON-PROTEIN TARGET	Activity	2.0	%	10.1016/j.bmc.2016.08.050
None	NON-PROTEIN TARGET	Activity	3.0	%	10.1016/j.bmc.2016.08.050
None	NON-PROTEIN TARGET	Activity	40.0	%	10.1016/j.bmc.2016.08.050
None	NON-PROTEIN TARGET	ED50	0.04	ug ml-1	10.1021/np058110c
None	NON-PROTEIN TARGET	ED50	0.1	ug ml-1	10.1021/np058063o
None	NON-PROTEIN TARGET	ED50	17.4	uM	10.1021/np020356j
None	NON-PROTEIN TARGET	ED50	19.0	uM	10.1021/np020356j
None	NON-PROTEIN TARGET	ED50	20.2	uM	10.1021/np020356j
None	NON-PROTEIN TARGET	ED50	20.7	uM	10.1021/np020356j
None	NON-PROTEIN TARGET	ED50	49.0	uM	10.1021/np020356j
None	NON-PROTEIN TARGET	GI	44.0	%	10.1016/j.ejmech.2009.10.042
None	NON-PROTEIN TARGET	GI	65.0	%	10.1016/j.bmcl.2013.11.032
None	NON-PROTEIN TARGET	GI	100.0	%	10.1016/j.bmcl.2011.08.022
None	NON-PROTEIN TARGET	GI	nan	None	10.1016/j.bmcl.2013.11.032
None	NON-PROTEIN TARGET	GI50	23.0	nM	10.1021/np000554f
None	NON-PROTEIN TARGET	GI50	34.0	nM	10.1021/np000554f
None	NON-PROTEIN TARGET	GI50	64.0	nM	10.1021/np000554f
None	NON-PROTEIN TARGET	GI50	100.0	nM	10.1021/np000554f
None	NON-PROTEIN TARGET	GI50	120.0	nM	10.1021/np000554f
None	NON-PROTEIN TARGET	GI50	180.0	nM	10.1021/np000554f
None	NON-PROTEIN TARGET	Hepatotoxicity (acute)	0.0	%	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (animal toxicity known)	nan	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (benign tumour)	0.0	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (granulomatous hepatitis)	0.0	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (mechanism)	nan	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (moderate)	5.0	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (moderate)	58.0	%	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	Hepatotoxicity (time to onset)	nan	None	10.1016/s0399-8320(04)95062-2
None	NON-PROTEIN TARGET	IC50	0.01	ug.mL-1	10.1021/np010071r
None	NON-PROTEIN TARGET	IC50	0.01	ug.mL-1	10.1021/np0202273
None	NON-PROTEIN TARGET	IC50	0.01	ug.mL-1	10.1021/np970573y
None	NON-PROTEIN TARGET	IC50	0.24	ug.mL-1	10.1021/jm00128a030
None	NON-PROTEIN TARGET	IC50	3.0	ug.mL-1	10.1021/np0004404
None	NON-PROTEIN TARGET	IC50	5.0	nM	10.1021/np800184g
None	NON-PROTEIN TARGET	IC50	8.1	ug.mL-1	10.1021/jm00128a030
None	NON-PROTEIN TARGET	IC50	200.0	nM	10.1039/C5MD00289C
None	NON-PROTEIN TARGET	IC50	400.0	nM	10.1021/np800184g
None	NON-PROTEIN TARGET	IC50	460.0	nM	10.1016/j.ejmech.2010.05.025
None	NON-PROTEIN TARGET	IC50	500.0	nM	10.1016/j.ejmech.2014.05.053
None	NON-PROTEIN TARGET	IC50	500.0	nM	10.1016/j.ejmech.2016.03.042
None	NON-PROTEIN TARGET	IC50	500.0	nM	10.1039/C5MD00289C
None	NON-PROTEIN TARGET	IC50	1400.0	nM	10.1016/j.bmcl.2015.11.069
None	NON-PROTEIN TARGET	IC50	1500.0	nM	10.1016/j.bmcl.2014.08.010
None	NON-PROTEIN TARGET	IC50	1680.0	nM	10.1016/j.bmcl.2013.01.112
None	NON-PROTEIN TARGET	IC50	2750.0	nM	10.1016/j.bmc.2009.12.073
None	NON-PROTEIN TARGET	IC50	3000.0	nM	10.1021/np5003302
None	NON-PROTEIN TARGET	IC50	nan	None	10.1016/j.bmcl.2014.08.010
None	NON-PROTEIN TARGET	IC50	nan	None	10.1016/j.ejmech.2013.05.036
None	NON-PROTEIN TARGET	ID50	0.7	uM	10.1016/s0960-894x(00)00429-7
None	NON-PROTEIN TARGET	ID50	2.66	uM	10.1016/s0960-894x(00)00429-7
None	NON-PROTEIN TARGET	Inhibition	55.39	%	10.1016/j.bmcl.2010.10.100
None	NON-PROTEIN TARGET	Inhibition	84.0	%	10.1016/j.bmcl.2007.10.011
None	NON-PROTEIN TARGET	Inhibition	100.0	%	10.1016/j.ejmech.2008.03.008
None	NON-PROTEIN TARGET	Inhibition	100.0	%	10.1016/j.ejmech.2010.01.008
None	NON-PROTEIN TARGET	Inhibition	100.0	%	10.1016/j.ejmech.2012.03.058
None	NON-PROTEIN TARGET	Ratio	0.33	None	10.1016/0960-894X(96)00418-0
None	No relevant target	LogD	-0.38	None	10.1021/jm00169a014
None	No relevant target	LogD	-0.38	None	10.1021/jm00371a026
None	No relevant target	LogP	-1.6	None	10.1016/j.ejmech.2009.12.043
None	No relevant target	LogP	-0.47	None	10.1021/jm00369a019
None	No relevant target	LogP	-0.38	None	10.1021/jm00111a051
None	Nucleic Acid	Activity	2.0	%	10.1016/j.bmc.2011.05.020
None	Nucleic Acid	Activity	3.0	%	10.1016/j.bmc.2011.05.020
None	Nucleic Acid	Activity	76.5	%	10.1016/j.bmc.2009.06.018
None	Nucleic Acid	IC50	13.0	nM	10.1021/jm00111a051
None	Nucleic Acid	IC50	14.8	nM	10.1021/jm00111a051
None	Nucleic Acid	IC50	32.2	nM	10.1021/jm00111a051
None	Nucleic Acid	ICL5	55.0	uM	10.1021/jm049863j
None	Nucleic Acid	ICL50	10.0	uM	10.1021/jm049863j
None	Nucleic Acid	ICL50	12.0	uM	10.1021/jm049863j
None	Nucleic Acid	ICL50	200.0	uM	10.1021/jm049863j
None	Nucleic Acid	ICL50	nan	None	10.1021/jm049863j
None	Nucleic Acid	K app	0.00017	M-1	10.1021/jm049863j
None	PBL	Activity	1.3	None	10.1021/acs.jnatprod.5b00273
None	PBL	Activity	1.6	None	10.1021/acs.jnatprod.5b00273
None	PBL	Activity	17.9	%	10.1021/acs.jnatprod.5b00273
None	PBL	Activity	123.5	%	10.1021/acs.jnatprod.5b00273
None	PBL	Activity	226.1	None	10.1021/acs.jnatprod.5b00273
None	Unchecked	Ac50	0.2818	uM	None
None	Unchecked	Ac50	0.3162	uM	None
None	Unchecked	Ac50	7.943	uM	None
None	Unchecked	Ac50	8.913	uM	None
None	Unchecked	Ac50	12.59	uM	None
None	Unchecked	Ac50	44.67	uM	None
None	Unchecked	AC50	281.8	nM	None
None	Unchecked	AC50	316.2	nM	None
None	Unchecked	AC50	7950.0	nM	None
None	Unchecked	AC50	8912.5	nM	None
None	Unchecked	AC50	12589.3	nM	None
None	Unchecked	AC50	44668.4	nM	None
None	Unchecked	Activity	2.0	%	10.1016/j.bmc.2016.06.041
None	Unchecked	Activity	2.23	mU/ml	10.1016/j.bmc.2016.05.045
None	Unchecked	Activity	5.0	%	10.1021/acs.jmedchem.0c00419
None	Unchecked	Activity	7.8	%	10.1016/j.bmc.2015.10.028
None	Unchecked	Activity	46.1	%	10.1016/j.bmc.2016.05.045
None	Unchecked	Activity	nan	None	10.1016/j.bmc.2015.10.028
None	Unchecked	Activity	nan	None	10.1021/np960144k
None	Unchecked	Average weight change	-5.5	g	10.1021/jm00142a013
None	Unchecked	CC50	40000.0	nM	None
None	Unchecked	Delta Tm	11.5	degrees C	10.1039/d2md00194b
None	Unchecked	Delta Tm	11.8	degrees C	10.1039/d2md00194b
None	Unchecked	Delta Tm	12.6	degrees C	10.1039/d2md00194b
None	Unchecked	Delta Tm	12.8	degrees C	10.1039/d2md00194b
None	Unchecked	GI50	1400.0	nM	10.1021/acs.jmedchem.7b00833
None	Unchecked	Hepatotoxicity (acute)	2.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (association with vascular disease)	5.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (choleostasis)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (chronic liver disease)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (cirrhosis)	1.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (comment)	nan	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (cytolytic)	2.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (malignant tumour)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (severe hepatitis)	4.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (steatosis)	0.0	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	Hepatotoxicity (successful reintroduction)	nan	None	10.1016/s0399-8320(04)95062-2
None	Unchecked	IC50	13.3	nM	None
None	Unchecked	IC50	77.33	nM	None
None	Unchecked	IC50	90.0	nM	10.1016/0960-894X(96)00418-0
None	Unchecked	IC50	101.9	nM	None
None	Unchecked	IC50	133.0	nM	10.1021/jm040137q
None	Unchecked	IC50	142.83	nM	None
None	Unchecked	IC50	525.0	nM	10.1021/jm040137q
None	Unchecked	IC50	995.3	nM	None
None	Unchecked	IC50	2570.5	nM	None
None	Unchecked	IC50	5631.8	nM	None
None	Unchecked	IC50	5961.25	nM	None
None	Unchecked	IC50	8127.2	nM	None
None	Unchecked	IC50	10000.0	nM	None
None	Unchecked	IC50	12054.82	nM	None
None	Unchecked	IC50	12554.6	nM	None
None	Unchecked	IC50	13626.1	nM	None
None	Unchecked	IC50	20000.0	nM	None
None	Unchecked	IC50	39580.0	nM	None
None	Unchecked	IC50	74890.0	nM	None
None	Unchecked	IC50	nan	None	None
None	Unchecked	Ki	nan	None	None
None	Unchecked	Log CR	0.49	None	10.1021/jm00169a014
None	Unchecked	Mean IC50	0.63	None	10.1021/jm010090y
None	Unchecked	MIC	930.0	nM	10.1021/acs.jnatprod.2c00946
None	Unchecked	OD	3.1	mg kg-1	10.1021/jm00016a005
None	Unchecked	Potency	891.3	nM	None
None	Unchecked	Potency	1299.5	nM	None
None	Unchecked	Potency	2238.7	nM	None
None	Unchecked	Potency	2511.9	nM	None
None	Unchecked	Potency	3981.1	nM	None
None	Unchecked	Potency	6309.6	nM	None
None	Unchecked	Ratio	0.78	None	10.1021/jm00121a007
None	Unchecked	Ratio	2.35	None	10.1021/jm00121a007
None	Unchecked	Ratio	16.7	None	10.1021/jm00111a004
None	Unchecked	Ratio	24.0	None	10.1021/jm00159a033
None	Unchecked	Ratio	86.0	None	10.1021/jm00121a007
None	Unchecked	Ratio	700.0	None	10.1021/jm00185a019
None	Unchecked	Ratio IC50	0.77	None	10.1016/j.ejmech.2017.03.055
None	Unchecked	Ratio IC50	292.0	None	10.1021/np800184g
None	Unchecked	T/C	0.48	None	10.1016/j.bmcl.2004.02.080
None	Unchecked	T/C	0.62	None	10.1016/j.bmcl.2004.02.080
None	Unchecked	T/C	2.7	None	10.1021/jm00216a006
None	Unchecked	T/C	6.6	None	10.1021/jm00216a006
None	Unchecked	T/C	8.6	None	10.1021/jm00203a020
None	Unchecked	T/C	17.5	None	10.1021/jm00203a020
None	Unchecked	T/C	17.6	None	10.1021/jm00216a006
None	Unchecked	T/C	nan	None	10.1021/jm00203a020

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT011277	CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12>>CO[C@@]12[C@H](COC(N)=O)c3c(O)c(N)c(C)c(O)c3N1C[C@@H]1N[C@@H]12	enzymemap_23994