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name Structure Reference Source Properties Activities Metabolism

Bestatin

AlkaPlorer ID: AK009150

Synonym: 'Ubenimex', '(-)-Bestatin', 'NK 421', 'Bestatin', 'NSC 265489'

IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid

Structure

SMILES: CC(C)C[C@H](N=C(O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)O

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InChI: InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1

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InChIKey: VGGGPCQERPFHOB-RDBSUJKOSA-N

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Properties Information

Molecule Weight: 308.37800000000004

TPSA？: 116.14

MolLogP？: 1.3730999999999995

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 16.7 % 10.6019/CHEMBL4513141
Bos taurus Cytosol aminopeptidase IC50 0.5 nM 10.1016/j.bmc.2011.01.008
Bos taurus Cytosol aminopeptidase Ki 500.0 nM 10.1016/j.bmc.2012.06.041
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans Inhibition 0.73 % 10.6019/CHEMBL4513141
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 CC50 25000.0 nM 10.1016/j.ejmech.2017.07.048
Cryptococcus neoformans Cryptococcus neoformans Inhibition -0.18 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli GI nan None 10.1016/j.ejmech.2018.11.074
Escherichia coli Escherichia coli Inhibition -1.57 % 10.6019/CHEMBL4513141
Homo sapiens A549 GI 48.0 % 10.1016/j.bmc.2016.08.054
Homo sapiens A549 IC50 15930.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens A549 IC50 500000.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens A549 IC50 500000.0 nM 10.1016/j.bmc.2018.04.041
Homo sapiens A549 IC50 500000.0 nM 10.1016/j.bmc.2019.01.041
Homo sapiens A549 IC50 500000.0 nM 10.1016/j.ejmech.2016.05.068
Homo sapiens A549 IC50 500000.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens A549 IC50 512900.0 nM 10.1016/j.bmcl.2012.07.086
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 Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 200000.0 nM 10.1021/acsmedchemlett.1c00504
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Aminopeptidase B IC50 160000.0 nM 10.1021/acsmedchemlett.6b00099
Homo sapiens Aminopeptidase N IC50 0.81 ug.mL-1 10.1021/jm970624o
Homo sapiens Aminopeptidase N IC50 100.0 ug.mL-1 10.1016/s0960-894x(99)00034-7
Homo sapiens Aminopeptidase N IC50 800.0 nM 10.1016/j.ejmech.2017.07.048
Homo sapiens Aminopeptidase N IC50 2400.0 nM 10.1016/j.ejmech.2009.12.071
Homo sapiens Aminopeptidase N IC50 2500.0 nM 10.1016/j.bmcl.2013.06.058
Homo sapiens Aminopeptidase N IC50 2700.0 nM 10.1016/s0960-894x(03)00550-x
Homo sapiens Aminopeptidase N IC50 3500.0 nM 10.1016/j.bmc.2011.01.008
Homo sapiens Aminopeptidase N IC50 3900.0 nM 10.1016/j.bmcl.2004.10.010
Homo sapiens Aminopeptidase N IC50 16000.0 nM 10.1021/ml3000758
Homo sapiens Aminopeptidase N IC50 16270.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens Aminopeptidase N IC50 17290.0 nM 10.1016/j.ejmech.2016.05.068
Homo sapiens Aminopeptidase N IC50 17340.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens Aminopeptidase N IC50 19400.0 nM 10.1016/S0960-894X(01)80519-9
Homo sapiens Aminopeptidase N IC50 20120.0 nM 10.1016/j.bmc.2013.01.068
Homo sapiens Aminopeptidase N IC50 20120.0 nM 10.1016/j.ejmech.2015.11.021
Homo sapiens Aminopeptidase N IC50 22890.0 nM 10.1016/j.bmc.2011.07.008
Homo sapiens Aminopeptidase N IC50 29670.0 nM 10.1016/j.bmc.2011.08.041
Homo sapiens Aminopeptidase N IC50 29670.0 nM 10.1016/j.bmc.2012.06.024
Homo sapiens Aminopeptidase N IC50 34350.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens Aminopeptidase N IC50 35500.0 nM 10.1016/j.bmc.2018.04.041
Homo sapiens Aminopeptidase N IC50 35500.0 nM 10.1016/j.bmc.2019.01.041
Homo sapiens Aminopeptidase N IC50 40000.0 nM 10.1016/j.bmc.2012.04.035
Homo sapiens Aminopeptidase N IC50 40000.0 nM 10.1016/j.bmcl.2013.03.021
Homo sapiens Aminopeptidase N IC50 40650.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens Aminopeptidase N IC50 54700.0 nM 10.1016/j.bmc.2018.04.041
Homo sapiens Aminopeptidase N IC50 54700.0 nM 10.1016/j.bmc.2019.01.041
Homo sapiens Aminopeptidase N IC50 471600.0 nM 10.1016/s0960-894x(99)00034-7
Homo sapiens Aminopeptidase N Inhibition 77.6 % 10.1016/j.ejmech.2017.07.048
Homo sapiens Aminopeptidase N Inhibition 85.0 % 10.1021/jm021109f
Homo sapiens Aminopeptidase N Inhibition nan % 10.1016/j.bmcl.2012.07.086
Homo sapiens Aminopeptidase N Inhibition nan % 10.1016/j.bmcl.2019.05.027
Homo sapiens Aminopeptidase N Ki 2370.0 nM 10.1021/acs.jmedchem.9b00757
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 Ataxin-2 Potency 398.1 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor Potency 12995.3 nM None
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Bromodomain-containing protein 4 Delta TM -0.66 C 10.6019/CHEMBL5308504
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Casein kinase I delta Delta TM 0.13 C 10.6019/CHEMBL5308504
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 Cerebroside-sulfatase Potency 849.2 nM None
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cyclin-dependent kinase 2 Delta TM 1.32 C 10.6019/CHEMBL5308504
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 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 Ki nan None None
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
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 Ki nan None None
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens Dipeptidyl peptidase IV IC50 100.0 ug.mL-1 10.1016/s0960-894x(99)00034-7
Homo sapiens Dipeptidyl peptidase IV IC50 100.0 ug.mL-1 10.1021/jm970624o
Homo sapiens Dipeptidyl peptidase IV IC50 324300.0 nM 10.1016/s0960-894x(99)00034-7
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Endoplasmic reticulum aminopeptidase 1 IC50 45000.0 nM 10.1021/acs.jmedchem.2c00904
Homo sapiens Endoplasmic reticulum aminopeptidase 1 IC50 50000.0 nM 10.1021/acsmedchemlett.6b00084
Homo sapiens Endoplasmic reticulum aminopeptidase 2 IC50 100000.0 nM 10.1021/acs.jmedchem.2c00904
Homo sapiens Endoplasmic reticulum aminopeptidase 2 Inhibition 100.0 % 10.1016/j.ejmech.2020.113053
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens ES-2 IC50 500000.0 nM 10.1016/j.ejmech.2020.112679
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 Fibroblast Growth Rate -0.85 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.72 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.83 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.91 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast growth factor receptor 3 Delta TM 0.78 C 10.6019/CHEMBL5308504
Homo sapiens Flap endonuclease 1 Potency 8436.8 nM None
Homo sapiens Glucocorticoid receptor AC50 20000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens Glycogen synthase kinase-3 beta Delta TM 0.33 C 10.6019/CHEMBL5308504
Homo sapiens HCT-116 IC50 44060.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens HCT-116 IC50 315250.0 nM 10.1016/j.ejmech.2016.05.068
Homo sapiens HCT-116 IC50 357610.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens HCT-116 IC50 500000.0 nM 10.1016/j.bmc.2018.04.041
Homo sapiens HCT-116 IC50 1000000.0 nM 10.1016/j.bmcl.2012.07.086
Homo sapiens HCT-116 Ratio IC50 1.83 None 10.1016/j.bmc.2016.12.048
Homo sapiens HEK-293T Growth Rate 0.14 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.49 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.55 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.59 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.92 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.98 None 10.6019/CHEMBL5303304
Homo sapiens HEL IC50 416650.0 nM 10.1016/j.ejmech.2016.05.068
Homo sapiens HEL IC50 500000.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens HeLa IC50 154900.0 nM 10.1016/j.bmcl.2012.07.086
Homo sapiens HeLa IC50 500000.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens HeLa IC50 500000.0 nM 10.1016/j.ejmech.2016.05.068
Homo sapiens HeLa Inhibition 28.0 % 10.1016/j.ejmech.2017.07.048
Homo sapiens HepG2 IC50 14520.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens HepG2 IC50 500000.0 nM 10.1016/j.ejmech.2016.05.068
Homo sapiens HepG2 IC50 500000.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens HepG2 IC50 500000.0 nM 10.1016/j.ejmech.2020.112679
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 IC50 nan None 10.1016/j.bmc.2013.12.025
Homo sapiens Histone deacetylase 1/3/5/8 IC50 100000.0 nM 10.1016/j.bmc.2013.01.068
Homo sapiens Histone deacetylase 1/3/5/8 IC50 1000000.0 nM 10.1016/j.bmcl.2013.06.058
Homo sapiens Histone deacetylase 6 Inhibition 0.45 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 2.33 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase (HDAC1 and HDAC2) IC50 100000.0 nM 10.1016/j.ejmech.2015.11.021
Homo sapiens Histone deacetylase (HDAC1 and HDAC2) Inhibition nan % 10.1016/j.bmc.2015.09.013
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 22387.2 nM None
Homo sapiens HL-60 EC50 100000.0 nM 10.1016/j.ejmech.2017.07.048
Homo sapiens HL-60 IC50 86400.0 nM 10.1016/j.bmcl.2012.07.086
Homo sapiens HL-60 IC50 245000.0 nM 10.1016/j.bmcl.2011.12.048
Homo sapiens HL-60 IC50 245000.0 nM 10.1016/j.ejmech.2009.07.022
Homo sapiens HL-60 IC50 920000.0 nM 10.1016/j.bmc.2009.02.034
Homo sapiens HL-60 IC50 920000.0 nM 10.1016/j.bmc.2009.07.014
Homo sapiens HL-60 IC50 1130000.0 nM 10.1016/j.bmc.2010.06.078
Homo sapiens HL-60 IC50 1340000.0 nM 10.1016/j.bmc.2011.07.008
Homo sapiens HL-60 IC50 1650000.0 nM 10.1016/j.bmc.2008.10.025
Homo sapiens HL-60 IC50 1650000.0 nM 10.1016/j.bmc.2009.04.038
Homo sapiens HL-60 IC50 nan None 10.1016/j.bmc.2016.08.054
Homo sapiens HL60/MX2 IC50 nan None 10.1016/j.bmc.2016.08.054
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens HT-1080 Activity 10.0 % 10.1016/j.bmc.2010.02.056
Homo sapiens HUVEC Activity nan None 10.1016/j.bmcl.2013.03.021
Homo sapiens HUVEC Activity nan None 10.1016/j.ejmech.2016.05.068
Homo sapiens HUVEC Activity nan None 10.1021/acsmedchemlett.1c00504
Homo sapiens HUVEC Activity nan None 10.1021/ml3000758
Homo sapiens HUVEC IC50 2000000.0 nM 10.1016/j.bmc.2019.01.041
Homo sapiens HUVEC Inhibition nan % 10.1016/j.bmc.2012.12.038
Homo sapiens HUVEC Inhibition nan % 10.1016/j.bmc.2018.04.041
Homo sapiens HUVEC Inhibition nan % 10.1016/j.bmc.2019.01.041
Homo sapiens HUVEC Inhibition nan % 10.1016/j.ejmech.2017.11.074
Homo sapiens Interleukin-1 receptor antagonist protein IC50 100000.0 nM 10.1021/acs.jmedchem.2c00904
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 K562 IC50 135600.0 nM 10.1016/j.bmcl.2012.07.086
Homo sapiens K562 IC50 500000.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens K562 IC50 500000.0 nM 10.1016/j.bmc.2018.04.041
Homo sapiens K562 IC50 500000.0 nM 10.1016/j.bmc.2019.01.041
Homo sapiens K562 IC50 500000.0 nM 10.1016/j.ejmech.2020.112679
Homo sapiens Kappa opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens KG-1 IC50 500000.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens KG-1 IC50 500000.0 nM 10.1016/j.ejmech.2016.05.068
Homo sapiens Leucine aminopeptidase IC50 11200.0 nM 10.1016/j.bmcl.2004.10.010
Homo sapiens Leucine aminopeptidase Ki 0.6 nM 10.1021/jm030795v
Homo sapiens Leucine aminopeptidase Ki 20.0 nM 10.1021/jm00119a022
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 Leukotriene A4 hydrolase Delta Tm 5.1 degrees C 10.1016/j.bmc.2016.08.047
Homo sapiens Leukotriene A4 hydrolase Delta Tm 5.2 degrees C 10.1016/j.bmc.2016.08.047
Homo sapiens Leukotriene A4 hydrolase IC50 266.0 nM 10.1021/acsmedchemlett.0c00102
Homo sapiens Leukotriene A4 hydrolase IC50 300.0 nM 10.1016/j.bmc.2016.08.047
Homo sapiens Leukotriene A4 hydrolase IC50 500.0 nM 10.1016/j.bmc.2011.01.008
Homo sapiens Leukotriene A4 hydrolase IC50 4000.0 nM 10.1016/j.bmcl.2008.07.043
Homo sapiens Leukotriene A4 hydrolase IC50 4000.0 nM 10.1016/S0960-894X(01)80464-9
Homo sapiens Leukotriene A4 hydrolase IC50 4200.0 nM 10.1016/j.ejmech.2012.10.057
Homo sapiens Leukotriene A4 hydrolase IC50 10100.0 nM 10.1016/j.bmc.2016.12.048
Homo sapiens Leukotriene A4 hydrolase IC50 18010.0 nM 10.1016/j.bmc.2016.12.048
Homo sapiens Leukotriene A4 hydrolase Kd 2050.0 nM 10.1016/j.bmc.2016.08.047
Homo sapiens Leukotriene A4 hydrolase Kd 4630.0 nM 10.1016/j.bmc.2016.08.047
Homo sapiens Leukotriene A4 hydrolase Kd 5150.0 nM 10.1016/j.bmc.2016.08.047
Homo sapiens Leukotriene A4 hydrolase Ki 320.0 nM 10.1016/j.bmc.2016.08.047
Homo sapiens LoVo GI 54.8 % 10.1016/j.bmc.2016.08.054
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 Delta TM 0.15 C 10.6019/CHEMBL5308504
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 14 IC50 nan nM 10.1016/j.bmcl.2004.10.010
Homo sapiens Matrix metalloproteinase-2 IC50 3400.0 nM 10.1016/j.bmcl.2006.12.095
Homo sapiens Matrix metalloproteinase-2 IC50 9500.0 nM 10.1016/j.bmc.2008.05.081
Homo sapiens Matrix metalloproteinase-2 IC50 21960.0 nM 10.1016/j.bmc.2008.04.012
Homo sapiens Matrix metalloproteinase-2 IC50 40500.0 nM 10.1016/j.bmc.2009.02.063
Homo sapiens Matrix metalloproteinase-2 IC50 40500.0 nM 10.1016/j.bmc.2009.03.017
Homo sapiens Matrix metalloproteinase-2 IC50 100000.0 nM 10.1016/j.bmc.2013.12.025
Homo sapiens Matrix metalloproteinase-2 IC50 120400.0 nM 10.1016/j.bmc.2011.07.008
Homo sapiens Matrix metalloproteinase-2 IC50 156000.0 nM 10.1016/j.bmc.2012.04.035
Homo sapiens Matrix metalloproteinase-2 IC50 156000.0 nM 10.1016/j.bmcl.2013.03.021
Homo sapiens Matrix metalloproteinase-2 IC50 156980.0 nM 10.1016/j.bmc.2010.06.078
Homo sapiens Matrix metalloproteinase-2 IC50 162000.0 nM 10.1016/j.bmc.2008.10.025
Homo sapiens Matrix metalloproteinase-2 IC50 162000.0 nM 10.1016/j.bmc.2009.04.056
Homo sapiens Matrix metalloproteinase-2 IC50 162000.0 nM 10.1016/j.bmc.2009.07.014
Homo sapiens Matrix metalloproteinase-2 IC50 163480.0 nM 10.1016/j.bmc.2011.08.041
Homo sapiens Matrix metalloproteinase-2 IC50 253200.0 nM 10.1016/j.bmc.2009.11.036
Homo sapiens Matrix metalloproteinase-2 IC50 276000.0 nM 10.1021/ml3000758
Homo sapiens Matrix metalloproteinase-2 IC50 nan nM 10.1016/j.bmcl.2004.10.010
Homo sapiens Matrix metalloproteinase-2 IC50 nan None 10.1016/j.bmc.2015.09.013
Homo sapiens Matrix metalloproteinase-2 Inhibition nan % 10.1016/j.bmc.2015.09.013
Homo sapiens Matrix metalloproteinase 9 IC50 nan nM 10.1016/j.bmcl.2004.10.010
Homo sapiens Matrix metalloproteinase 9 IC50 nan None 10.1016/j.bmc.2015.09.013
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Inhibition nan % 10.1016/j.bmc.2015.09.013
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens MCF10 GI 26.9 % 10.1016/j.bmc.2016.08.054
Homo sapiens MCF7 Activity 3.4 % 10.1021/acs.jmedchem.6b00190
Homo sapiens MCF7 Activity 7.5 % 10.1021/acs.jmedchem.6b00190
Homo sapiens MCF7 Activity nan None 10.1021/acs.jmedchem.6b00190
Homo sapiens MCF7 GI 63.8 % 10.1016/j.bmc.2016.08.054
Homo sapiens MCF7 IC50 149600.0 nM 10.1016/j.bmc.2016.08.054
Homo sapiens MCF7 IC50 200000.0 nM 10.1021/acsmedchemlett.1c00504
Homo sapiens MCF7 IC50 500000.0 nM 10.1016/j.ejmech.2016.05.068
Homo sapiens MCF7 IC50 541000.0 nM 10.1021/acs.jmedchem.6b00190
Homo sapiens MCF7 IC50 1000000.0 nM 10.1016/j.bmcl.2012.07.086
Homo sapiens MDA-MB-231 Activity 2.14 % 10.1016/j.bmcl.2012.07.086
Homo sapiens MDA-MB-231 Activity 7.03 % 10.1016/j.bmcl.2012.07.086
Homo sapiens MDA-MB-231 Activity 8.54 % 10.1016/j.bmcl.2012.07.086
Homo sapiens MDA-MB-231 Activity 15.06 % 10.1016/j.bmcl.2012.07.086
Homo sapiens MDA-MB-231 Activity 77.91 % 10.1016/j.bmcl.2012.07.086
Homo sapiens MDA-MB-231 Activity nan None 10.1016/j.bmcl.2012.07.086
Homo sapiens MDA-MB-231 Activity nan None 10.1016/j.bmcl.2019.05.027
Homo sapiens MDA-MB-231 IC50 50600.0 nM 10.1016/j.bmc.2012.06.024
Homo sapiens MDA-MB-231 IC50 50600.0 nM 10.1016/j.bmcl.2012.07.086
Homo sapiens MDA-MB-231 IC50 500000.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens MDA-MB-231 IC50 500000.0 nM 10.1016/j.bmc.2018.04.041
Homo sapiens MDA-MB-231 IC50 500000.0 nM 10.1016/j.ejmech.2016.05.068
Homo sapiens MDA-MB-231 IC50 753180.0 nM 10.1016/j.bmc.2011.08.041
Homo sapiens MDA-MB-231 IC50 5080000.0 nM 10.1016/j.bmc.2011.07.008
Homo sapiens MDA-MB-231 IC50 8590000.0 nM 10.1016/j.bmc.2010.06.078
Homo sapiens MDA-MB-435 Inhibition nan % 10.1016/j.bmcl.2013.04.031
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 MOLT-4 EC50 100000.0 nM 10.1016/j.ejmech.2017.07.048
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 MRC5 IC50 nan None 10.1021/jm301506h
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 NB-4 IC50 220900.0 nM 10.1016/j.bmcl.2012.07.086
Homo sapiens NCI-H1975 IC50 200000.0 nM 10.1021/acsmedchemlett.1c00504
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 Neuronal acetylcholine receptor protein alpha-4 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Neutrophil Inhibition nan % 10.1021/acs.jmedchem.9b00663
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 Nuclear factor erythroid 2-related factor 2 Potency 8199.5 nM None
Homo sapiens Oligopeptide transporter small intestine isoform Activity nan None 10.1038/nrd3028
Homo sapiens PANC-1 Activity 10.0 % 10.1016/j.bmc.2010.02.056
Homo sapiens PC-3 IC50 399400.0 nM 10.1016/j.bmcl.2012.07.086
Homo sapiens PC-3 IC50 500000.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens PC-3 IC50 500000.0 nM 10.1016/j.bmc.2018.04.041
Homo sapiens PC-3 IC50 500000.0 nM 10.1016/j.bmc.2019.01.041
Homo sapiens PC-3 IC50 500000.0 nM 10.1016/j.ejmech.2016.05.068
Homo sapiens PC-3 IC50 500000.0 nM 10.1016/j.ejmech.2020.112679
Homo sapiens Peregrin Delta TM -2.93 C 10.6019/CHEMBL5308504
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 4D 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 Phospholipase A2 group IIA IC50 100000.0 nM 10.1016/j.ejmech.2012.10.057
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens PLC IC50 500000.0 nM 10.1016/j.bmc.2018.04.041
Homo sapiens PLC IC50 500000.0 nM 10.1016/j.bmc.2019.01.041
Homo sapiens PLC-PRF-5 Activity 0.0 % 10.1016/j.ejmech.2017.11.074
Homo sapiens PLC-PRF-5 Activity 0.01 % 10.1016/j.ejmech.2017.11.074
Homo sapiens PLC-PRF-5 Activity 2.38 % 10.1016/j.ejmech.2017.11.074
Homo sapiens PLC-PRF-5 Activity 3.59 % 10.1016/j.ejmech.2017.11.074
Homo sapiens PLC-PRF-5 Activity 7.1 % 10.1016/j.bmc.2016.09.033
Homo sapiens PLC-PRF-5 Activity 11.0 % 10.1016/j.bmc.2016.09.033
Homo sapiens PLC-PRF-5 Activity 13.0 % 10.1016/j.ejmech.2017.11.074
Homo sapiens PLC-PRF-5 Activity 33.3 % 10.1016/j.ejmech.2017.11.074
Homo sapiens PLC-PRF-5 Activity 64.3 % 10.1016/j.ejmech.2017.11.074
Homo sapiens PLC-PRF-5 Activity 83.4 % 10.1016/j.ejmech.2017.11.074
Homo sapiens PLC-PRF-5 Activity nan None 10.1016/j.ejmech.2017.11.074
Homo sapiens PLC-PRF-5 IC50 22810.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens PLC-PRF-5 IC50 500000.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens PLC-PRF-5 IC50 500000.0 nM 10.1016/j.ejmech.2016.05.068
Homo sapiens PLC-PRF-5 IC50 500000.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens PLC-PRF-5 IC50 500000.0 nM 10.1016/j.ejmech.2020.112679
Homo sapiens Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Puromycin-sensitive aminopeptidase IC50 3500.0 nM 10.1016/j.ejmech.2017.07.048
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 Serine/threonine-protein kinase Aurora-A Delta TM -0.07 C 10.6019/CHEMBL5308504
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 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 SH-SY5Y Potency 398.1 nM None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens SK-OV-3 IC50 1000000.0 nM 10.1016/j.bmcl.2012.07.086
Homo sapiens Solute carrier family 15 member 2 Activity nan None 10.1038/nrd3028
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 10.9 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 31.8 % 10.1021/jm300212s
Homo sapiens Solute carrier organic anion transporter family member 2B1 Inhibition 20.7 % 10.1021/jm300212s
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 Transcription intermediary factor 1-alpha Delta TM -0.82 C 10.6019/CHEMBL5308504
Homo sapiens Tyrosine-protein kinase ABL Delta TM -0.05 C 10.6019/CHEMBL5308504
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 22387.2 nM None
Homo sapiens U-266 IC50 43480.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens U-266 IC50 500000.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens U-266 IC50 500000.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens U2OS Growth Rate 0.42 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.82 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.89 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.94 None 10.6019/CHEMBL5303304
Homo sapiens U-937 Cytotoxicity 40.0 % 10.1021/jm021109f
Homo sapiens U-937 IC50 9560.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens U-937 IC50 142630.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens U-937 IC50 142630.0 nM 10.1016/j.ejmech.2017.11.074
Homo sapiens U-937 IC50 500000.0 nM 10.1016/j.bmc.2018.04.041
Homo sapiens U-937 IC50 500000.0 nM 10.1016/j.ejmech.2020.112679
Homo sapiens U-937 IC50 1000000.0 nM 10.1016/j.bmc.2013.01.068
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
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 12.45 % 10.6019/CHEMBL4513141
Mus musculus 3LL cell line Inhibition 50.0 % 10.1021/ml3000758
Mus musculus Aminopeptidase B IC50 6000.0 nM 10.1016/S0960-894X(01)80519-9
Mus musculus Aminopeptidase N IC50 23200.0 nM 10.1021/ml3000758
Mus musculus Aminopeptidase N Ki 3030.0 nM 10.1021/ml3000758
Mus musculus B16-BL6 Inhibition 50.0 % 10.1021/ml3000758
Mus musculus BALB/3T3 GI 37.7 % 10.1016/j.bmc.2016.08.054
Mus musculus H22 Activity 60.25 % 10.1016/j.ejmech.2009.07.022
Mus musculus H22 Activity 64.0 % 10.1016/j.bmc.2018.04.041
Mus musculus H22 Activity nan None 10.1016/j.bmc.2019.01.041
Mus musculus H22 Inhibition 45.37 % 10.1016/j.bmcl.2011.12.048
Mus musculus H22 Inhibition 75.9 % 10.1016/j.ejmech.2015.11.021
Mus musculus H22 TGI 45.37 % 10.1016/j.ejmech.2009.12.071
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.6b01507
Mus musculus Mus musculus Change -3.0 % 10.1021/jm00083a013
Mus musculus Mus musculus Change 3.0 % 10.1021/jm00083a013
Mus musculus Mus musculus Change 11.0 % 10.1021/jm00083a013
Mus musculus Mus musculus Change 26.0 % 10.1021/jm00083a013
Mus musculus Mus musculus Change 41.0 % 10.1021/jm00083a013
Mus musculus Mus musculus Change 59.0 % 10.1021/jm00083a013
Mus musculus Mus musculus Inhibition nan % 10.1021/acs.jmedchem.6b01507
Mus musculus NIH3T3 IC50 1000000.0 nM 10.1016/j.bmcl.2012.07.086
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Plasminogen/Urokinase plasminogen activator surface receptor/Urokinase-type plasminogen activator Potency 16481.6 nM None
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 chabaudi Plasmodium chabaudi Activity 34.0 % 10.1021/acs.jmedchem.0c01721
Plasmodium falciparum Plasmodium falciparum Activity 36.0 % 10.1016/j.bmc.2017.06.047
Plasmodium falciparum Plasmodium falciparum Activity nan None 10.1074/jbc.m703643200
Plasmodium falciparum Plasmodium falciparum EC50 900.0 nM 10.1074/jbc.m703643200
Plasmodium falciparum Plasmodium falciparum EC50 1800.0 nM 10.1074/jbc.m703643200
Plasmodium falciparum Plasmodium falciparum EC50 5100.0 nM 10.1128/aac.00840-06
Plasmodium falciparum Plasmodium falciparum EC50 nan None 10.1128/aac.00840-06
Plasmodium falciparum Plasmodium falciparum IC50 8.0 nM 10.1021/jm301506h
Plasmodium falciparum Plasmodium falciparum IC50 3200.0 nM 10.1021/jm101227t
Plasmodium falciparum Plasmodium falciparum IC50 3300.0 nM 10.1016/j.bmc.2017.06.047
Plasmodium falciparum Plasmodium falciparum IC50 5000.0 nM 10.1021/acs.jmedchem.0c01721
Plasmodium falciparum Plasmodium falciparum IC50 14870.0 nM 10.1021/acs.jmedchem.0c01721
Plasmodium falciparum Plasmodium falciparum IC50 21000.0 nM 10.1016/j.bmc.2017.06.047
Plasmodium falciparum Plasmodium falciparum IC50 29000.0 nM 10.1016/s0960-894x(03)00550-x
Plasmodium falciparum Plasmodium falciparum Inhibition 29.0 % 10.1128/aac.01327-07
Plasmodium falciparum Plasmodium falciparum Inhibition 97.0 % 10.1128/aac.01327-07
Plasmodium falciparum 3D7 M17 leucyl aminopeptidase Inhibition 6.0 % 10.1128/aac.01327-07
Plasmodium falciparum 3D7 M17 leucyl aminopeptidase Inhibition 33.0 % 10.1128/aac.01327-07
Plasmodium falciparum 3D7 M17 leucyl aminopeptidase Inhibition 47.0 % 10.1128/aac.01327-07
Plasmodium falciparum 3D7 M17 leucyl aminopeptidase Inhibition 93.0 % 10.1128/aac.01327-07
Plasmodium falciparum 3D7 M17 leucyl aminopeptidase Inhibition 98.0 % 10.1128/aac.01327-07
Plasmodium falciparum FcB1/Columbia Zinc aminopeptidase IC50 284.0 nM 10.1016/s0960-894x(03)00550-x
Plasmodium falciparum FcB1/Columbia Zinc aminopeptidase Ki 190.0 nM 10.1021/jm101227t
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 8.82 % 10.6019/CHEMBL4513141
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 Aminopeptidase B IC50 0.05 ug.mL-1 10.1021/jm00214a010
Rattus norvegicus Aminopeptidase B IC50 6000.0 nM 10.1021/jm00083a013
Rattus norvegicus Aminopeptidase B Ki 14.0 nM 10.1021/jm00126a039
Rattus norvegicus Aminopeptidase B Ki 60.0 nM 10.1021/jm00119a022
Rattus norvegicus Aminopeptidase N IC50 19400.0 nM 10.1021/jm00083a013
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Aorta Activity nan None 10.1016/j.bmcl.2013.03.021
Rattus norvegicus Aorta Activity nan None 10.1016/j.ejmech.2016.05.068
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Cystinyl aminopeptidase Ki 20.0 nM 10.1021/jm00126a039
Rattus norvegicus Cystinyl aminopeptidase Ki 4400.0 nM 10.1021/jm00126a039
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 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 Oligopeptide transporter, kidney isoform Activity nan None 10.1016/0005-2736(96)00024-7
Rattus norvegicus Oligopeptide transporter, kidney isoform Ki 18000.0 nM 10.1007/s004240000339
Rattus norvegicus Rattus norvegicus ALB 40000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 289.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 304.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 308.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 310.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 334.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 345.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 48.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 50.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 53.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 54.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 55.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 58.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 76.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 82.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 87.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 92.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 93.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 96.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AUC 11499.0 ng.hr.mL-1 10.1016/j.ejmech.2017.11.074
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 1.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 140.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 155.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 156.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 163.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 165.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 166.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 99.83 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 100.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 105.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 108.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 583.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 623.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 633.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 760.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 785.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 244.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 272.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 350.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 381.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 463.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 475.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CL 115.95 mL.min-1.kg-1 10.1016/j.ejmech.2017.11.074
Rattus norvegicus Rattus norvegicus Cmax 7458.33 nM 10.1016/j.ejmech.2017.11.074
Rattus norvegicus Rattus norvegicus CO2 23670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26500000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 29330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 31330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.1 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.6 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 28.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 88.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 99.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 168.33 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 EOSLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1420.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1430.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1463.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1556.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1618.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1976.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.13 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.73 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.13 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 36.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 129700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 139700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 140300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 140700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 141000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 143300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 157.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 228.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 237.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 487.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 498.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 612.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12244.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12669.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13539.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13654.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 13954.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 15131.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 85.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 86.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 94.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.33 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 23.9 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.42 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.53 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.6 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.63 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 387700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 390000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 395300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 401700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 403700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 59.53 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 60.93 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.37 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.53 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.05 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.55 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 91.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 121.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 122.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 144.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 177.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 277.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 2.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MRT 3.436 hr 10.1016/j.ejmech.2017.11.074
Rattus norvegicus Rattus norvegicus NEUTLE 5.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 12.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 13.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 847.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1191.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1223.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1655.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1690.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 2116.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 92.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 105.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 110.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 112.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 118.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 121.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1144330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1187670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1238330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1252670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1281170.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1312170.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.18 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.71 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.1 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.4 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.61 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.78 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 57000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 61000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 62200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5560000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5700000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5720000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5780000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5820000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5870000.0 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 SODIUM 142.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.9 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.27 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.95 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 150.27 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus T1/2 3.404 hr 10.1016/j.ejmech.2017.11.074
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 12.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 13.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 14.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 17.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 18.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Vd 34.18 L.kg-1 10.1016/j.ejmech.2017.11.074
Rattus norvegicus Rattus norvegicus VRT 13.09 hr2 10.1016/j.ejmech.2017.11.074
Rattus norvegicus Rattus norvegicus WBC 14170.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15170.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15800.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15830.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 16100.0 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 Solute carrier family 15 member 1 Activity nan None None
Rattus norvegicus Solute carrier family 15 member 1 Ki 1500000.0 nM 10.1007/s004240000339
Rattus norvegicus Thoracic aorta Activity nan None 10.1016/j.bmc.2018.04.041
Rattus norvegicus Thoracic aorta Activity nan None 10.1016/j.bmc.2019.01.041
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 11.61 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 17.76 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 20.76 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1422 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 -0.12 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.08 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.11 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 1.62 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.01222 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Inhibition 8.9 % 10.6019/CHEMBL4513141
Sus scrofa Aminopeptidase N IC50 5.0 nM 10.1021/jm00147a007
Sus scrofa Aminopeptidase N IC50 1300.0 nM 10.1016/j.bmc.2012.06.024
Sus scrofa Aminopeptidase N IC50 1640.0 nM 10.1016/j.bmc.2013.12.025
Sus scrofa Aminopeptidase N IC50 2100.0 nM 10.1016/j.bmc.2010.02.056
Sus scrofa Aminopeptidase N IC50 2100.0 nM 10.1016/j.bmcl.2008.05.050
Sus scrofa Aminopeptidase N IC50 2400.0 nM 10.1016/j.bmcl.2006.12.095
Sus scrofa Aminopeptidase N IC50 2400.0 nM 10.1016/j.ejmech.2009.07.022
Sus scrofa Aminopeptidase N IC50 2450.0 nM 10.1016/j.ejmech.2017.11.074
Sus scrofa Aminopeptidase N IC50 2700.0 nM 10.1016/j.bmc.2006.10.010
Sus scrofa Aminopeptidase N IC50 3000.0 nM 10.1016/j.bmc.2009.04.038
Sus scrofa Aminopeptidase N IC50 3100.0 nM 10.1016/j.bmc.2008.10.025
Sus scrofa Aminopeptidase N IC50 3100.0 nM 10.1016/j.bmc.2009.02.034
Sus scrofa Aminopeptidase N IC50 3400.0 nM 10.1016/j.bmc.2013.01.068
Sus scrofa Aminopeptidase N IC50 3400.0 nM 10.1016/j.ejmech.2015.11.021
Sus scrofa Aminopeptidase N IC50 3600.0 nM 10.1016/j.bmc.2009.07.014
Sus scrofa Aminopeptidase N IC50 3640.0 nM 10.1021/acsmedchemlett.1c00504
Sus scrofa Aminopeptidase N IC50 3700.0 nM 10.1016/j.bmc.2011.07.008
Sus scrofa Aminopeptidase N IC50 3700.0 nM 10.1016/j.bmc.2016.09.033
Sus scrofa Aminopeptidase N IC50 3800.0 nM 10.1016/j.bmc.2009.04.056
Sus scrofa Aminopeptidase N IC50 3800.0 nM 10.1016/j.bmc.2009.11.036
Sus scrofa Aminopeptidase N IC50 4180.0 nM 10.1016/j.bmc.2010.06.078
Sus scrofa Aminopeptidase N IC50 5120.0 nM 10.1016/j.ejmech.2016.05.068
Sus scrofa Aminopeptidase N IC50 5550.0 nM 10.1016/j.bmc.2011.08.041
Sus scrofa Aminopeptidase N IC50 5580.0 nM 10.1016/j.bmcl.2013.06.058
Sus scrofa Aminopeptidase N IC50 5870.0 nM 10.1016/j.bmc.2010.11.066
Sus scrofa Aminopeptidase N IC50 6900.0 nM 10.1016/j.bmc.2015.09.013
Sus scrofa Aminopeptidase N IC50 8100.0 nM 10.1016/j.bmc.2012.04.035
Sus scrofa Aminopeptidase N IC50 8100.0 nM 10.1016/j.bmcl.2013.03.021
Sus scrofa Aminopeptidase N IC50 8500.0 nM 10.1016/j.bmc.2008.05.081
Sus scrofa Aminopeptidase N IC50 8900.0 nM 10.1016/j.bmcl.2012.07.086
Sus scrofa Aminopeptidase N IC50 9100.0 nM 10.1021/ml3000758
Sus scrofa Aminopeptidase N IC50 9400.0 nM 10.1016/j.bmc.2018.04.041
Sus scrofa Aminopeptidase N IC50 9400.0 nM 10.1016/j.bmc.2019.01.041
Sus scrofa Aminopeptidase N IC50 9400.0 nM 10.1016/j.ejmech.2020.112679
Sus scrofa Aminopeptidase N IC50 13100.0 nM 10.1016/j.bmc.2009.02.063
Sus scrofa Aminopeptidase N IC50 13100.0 nM 10.1016/j.bmc.2009.03.017
Sus scrofa Aminopeptidase N IC50 14900.0 nM 10.1021/acs.jmedchem.7b00782
Sus scrofa Aminopeptidase N Inhibition 48.6 % 10.1021/acs.jmedchem.2c01257
Sus scrofa Aminopeptidase N Ki 0.5 nM 10.1016/j.bmc.2012.06.041
Sus scrofa Aminopeptidase N Ki 2100.0 nM 10.1016/j.bmc.2017.06.047
Sus scrofa Aminopeptidase N Ki 3500.0 nM 10.1016/j.bmc.2013.08.044
Sus scrofa Aminopeptidase N Ki 3730.0 nM 10.1016/j.bmcl.2012.07.086
Sus scrofa Aminopeptidase N Ki 7800.0 nM 10.1021/jm00119a022
Sus scrofa Cytosol aminopeptidase IC50 5200.0 nM 10.1016/j.bmc.2016.08.054
Sus scrofa Cytosol aminopeptidase IC50 11200.0 nM 10.1016/j.bmc.2016.08.054
Trypanosoma brucei 6-phospho-1-fructokinase Potency 8492.1 nM None
Vibrio proteolyticus Bacterial leucyl aminopeptidase Ki 1.6 nM 10.1016/j.bmc.2013.08.044
None ADMET Drug metabolism nan None 10.1016/j.ejmech.2017.11.074
None ADMET GI 1.0 % 10.1021/ml3000758
None ADMET GI 2.89 % 10.1021/ml3000758
None ADMET GI50 500000.0 nM 10.1021/ml3000758
None Erythrocyte Activity nan None 10.1016/j.bmc.2017.06.047
None NON-PROTEIN TARGET Activity nan None 10.1016/j.bmcl.2013.03.021
None NON-PROTEIN TARGET Activity nan None 10.1021/ml3000758
None NON-PROTEIN TARGET GI50 350000.0 nM 10.1016/j.bmcl.2013.03.021
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) 1.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 2.4 % 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 100.0 ug.mL-1 10.1016/s0960-894x(99)00034-7
None NON-PROTEIN TARGET IC50 42540.0 nM 10.1016/j.bmc.2016.12.048
None NON-PROTEIN TARGET IC50 74500.0 nM 10.1016/j.bmcl.2012.07.086
None NON-PROTEIN TARGET IC50 77820.0 nM 10.1016/j.bmc.2016.12.048
None NON-PROTEIN TARGET IC50 89510.0 nM 10.1016/j.bmc.2016.12.048
None NON-PROTEIN TARGET IC50 141890.0 nM 10.1016/j.bmc.2011.08.041
None NON-PROTEIN TARGET IC50 332000.0 nM 10.1016/j.bmc.2010.11.066
None NON-PROTEIN TARGET IC50 490000.0 nM 10.1016/j.bmc.2012.04.035
None NON-PROTEIN TARGET IC50 620000.0 nM 10.1016/j.bmc.2013.01.068
None NON-PROTEIN TARGET IC50 631740.0 nM 10.1016/j.bmc.2012.06.024
None NON-PROTEIN TARGET Inhibition nan % 10.1016/j.bmc.2012.04.035
None NON-PROTEIN TARGET Inhibition nan % 10.1016/j.ejmech.2015.11.021
None NON-PROTEIN TARGET TGI 36.2 % 10.1016/j.ejmech.2009.12.071
None No relevant target Rf 0.48 None 10.1021/jm00214a010
None No relevant target solubility nan None 10.1021/jm900259h
None No relevant target Solubility 35700000.0 nM 10.1021/acs.jmedchem.7b00782
None Unchecked Activity 1.2 % 10.1016/j.bmc.2017.06.047
None Unchecked Activity nan None 10.1016/j.bmc.2019.01.041
None Unchecked Activity nan None 10.1074/jbc.m703643200
None Unchecked GI 26.9 % 10.1016/j.bmc.2016.08.054
None Unchecked Hepatotoxicity (acute) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 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) 0.0 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) 0.0 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) 0.0 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 0.01 ug.mL-1 10.1021/jm00214a010
None Unchecked IC50 1.6 nM 10.1016/j.bmc.2011.01.008
None Unchecked IC50 170.0 nM 10.1021/jm00119a023
None Unchecked IC50 300.0 nM 10.1021/jm00083a013
None Unchecked IC50 310.0 nM 10.1016/j.bmc.2017.06.047
None Unchecked IC50 478.0 nM 10.1021/jm301506h
None Unchecked IC50 4410.0 nM 10.1016/j.bmcl.2011.02.068
None Unchecked IC50 7000.0 nM 10.1016/j.bmcl.2011.02.068
None Unchecked IC50 7000.0 nM 10.1016/j.ejmech.2018.11.074
None Unchecked IC50 15500.0 nM 10.1016/j.bmc.2008.04.012
None Unchecked IC50 17580.0 nM 10.1016/j.ejmech.2017.11.074
None Unchecked IC50 25000.0 nM 10.1016/j.bmcl.2011.02.068
None Unchecked IC50 37050.0 nM 10.1016/j.ejmech.2017.11.074
None Unchecked IC50 200000.0 nM 10.1021/jm901613f
None Unchecked IC50 500000.0 nM 10.1016/j.bmc.2016.09.033
None Unchecked IC50 500000.0 nM 10.1016/j.bmc.2018.04.041
None Unchecked IC50 500000.0 nM 10.1016/j.bmc.2019.01.041
None Unchecked IC50 500000.0 nM 10.1016/j.ejmech.2016.05.068
None Unchecked IC50 500000.0 nM 10.1016/j.ejmech.2017.11.074
None Unchecked IC50 nan None 10.1016/j.bmc.2016.08.054
None Unchecked IC50 nan None None
None Unchecked Inhibition 50.0 % 10.1016/j.bmc.2017.06.047
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.8b01310
None Unchecked Inhibition nan % 10.1021/ml3000758
None Unchecked Ki 1.6 nM 10.1021/acs.jmedchem.0c01721
None Unchecked Ki 25.0 nM 10.1021/acs.jmedchem.0c01721
None Unchecked Ki 160.0 nM 10.1016/j.bmc.2017.06.047
None Unchecked Ki 478.0 nM 10.1021/acs.jmedchem.0c01721
None Unchecked Ki 478.2 nM 10.1021/acs.jmedchem.0c01721
None Unchecked Ki 1530.0 nM 10.1021/acs.jmedchem.9b00757
None Unchecked Ki 1673.0 nM 10.1021/acs.jmedchem.0c01721
None Unchecked Ki 623000.0 nM 10.1021/acs.jmedchem.0c01721
None Unchecked Ki nan None None
None Unchecked Potency 31622.8 nM None
None Unchecked Ratio 0.1 None 10.1016/s0960-894x(03)00550-x
None Unchecked Ratio IC50 0.71 None 10.1016/j.bmcl.2006.12.095
None Unchecked Ratio IC50 30.2 None 10.1021/ml3000758
None Unchecked Ratio IC50 32.5 None 10.1016/j.bmc.2011.07.008
None Unchecked Ratio IC50 42.6 None 10.1016/j.bmc.2009.04.056
None Unchecked Ratio Ki 13.1 None 10.1016/j.bmc.2017.06.047

Metabolism Information