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name Structure Reference Source Properties Activities Metabolism

4-amino-1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one

AlkaPlorer ID: AK016914

Synonym: None

IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Structure

SMILES: N=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)C(O)=N1

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InChI: InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1

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InChIKey: SDUQYLNIPVEERB-QPPQHZFASA-N

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Properties Information

Molecule Weight: 263.2

TPSA？: 111.59000000000002

MolLogP？: -1.0459300000000005

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
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 aethiops CV-1 IC50 21900.0 nM 10.1016/j.bmcl.2013.02.061
Chlorocebus sabaeus Vero CC50 4.3 nM 10.1021/acsmedchemlett.0c00485
Chlorocebus sabaeus Vero MCC 8.0 nM 10.1021/acsmedchemlett.0c00485
Enterovirus C Enterovirus C IC50 300.0 nM 10.1021/acsmedchemlett.0c00485
Escherichia coli Escherichia coli Activity nan None 10.1128/aac.00081-07
Escherichia coli Escherichia coli MIC 1.0 nM 10.1128/aac.00081-07
Escherichia coli Escherichia coli MIC 31.6 nM 10.1128/aac.00081-07
Escherichia coli Escherichia coli MIC 1000000.0 nM 10.1128/aac.00081-07
Hepacivirus hominis Hepatitis C virus Activity 50.0 % 10.1016/j.ejmech.2020.113135
Hepacivirus hominis Hepatitis C virus Activity nan None 10.1016/j.ejmech.2020.113135
Hepacivirus hominis Hepatitis C virus EC50 12.0 nM 10.1021/acsmedchemlett.0c00485
Hepacivirus hominis Hepatitis C virus EC50 1000.0 nM 10.1016/j.bmcl.2010.06.025
Hepacivirus hominis Hepatitis C virus IC50 58.0 nM 10.1016/j.ejmech.2020.113135
Hepacivirus hominis Hepatitis C virus IC50 170.0 nM 10.1016/j.ejmech.2020.113135
Hepacivirus hominis Hepatitis C virus Ratio IC50 2.9 None 10.1016/j.ejmech.2020.113135
Homo sapiens 23132-87 IC50 43.05 nM 10.6019/CHEMBL1201861
Homo sapiens 5637 IC50 2102.98 nM 10.6019/CHEMBL1201861
Homo sapiens 639-V IC50 193.14 nM 10.6019/CHEMBL1201861
Homo sapiens 647-V IC50 0.2481 nM 10.6019/CHEMBL1201861
Homo sapiens 697 IC50 6.247 nM 10.6019/CHEMBL1201861
Homo sapiens 769-P IC50 0.1231 nM 10.6019/CHEMBL1201861
Homo sapiens 786-0 IC50 0.023 nM 10.6019/CHEMBL1201861
Homo sapiens 8305C Activity nan None 10.1016/j.bmc.2013.10.001
Homo sapiens 8305C IC50 9.64 nM 10.6019/CHEMBL1201861
Homo sapiens 8305C IC50 4530.0 nM 10.1016/j.bmc.2013.10.001
Homo sapiens 8505C IC50 1.063 nM 10.6019/CHEMBL1201861
Homo sapiens 8-MG-BA IC50 5.93 nM 10.6019/CHEMBL1201861
Homo sapiens A101D IC50 9.373 nM 10.6019/CHEMBL1201861
Homo sapiens A 172 IC50 24.71 nM 10.6019/CHEMBL1201861
Homo sapiens A204 IC50 11.16 nM 10.6019/CHEMBL1201861
Homo sapiens A2058 IC50 32.83 nM 10.6019/CHEMBL1201861
Homo sapiens A253 cell line IC50 102.28 nM 10.6019/CHEMBL1201861
Homo sapiens A2780 Activity 3.0 % 10.1038/nchembio.90
Homo sapiens A2780 Activity nan None 10.1021/acs.jmedchem.7b00563
Homo sapiens A2780 IC50 0.2702 nM 10.6019/CHEMBL1201861
Homo sapiens A2780 IC50 1.5 nM 10.1021/jm070269u
Homo sapiens A2780 IC50 15.0 nM 10.1021/jm070269u
Homo sapiens A2780 IC50 16.6 nM 10.1038/nchembio.90
Homo sapiens A2780 IC50 35.0 nM 10.1021/jm100504d
Homo sapiens A2780 IC50 310.0 nM 10.1016/j.bmcl.2009.03.092
Homo sapiens A-375 IC50 0.009949 nM 10.6019/CHEMBL1201861
Homo sapiens A388 IC50 1.365 nM 10.6019/CHEMBL1201861
Homo sapiens A3-KAW IC50 0.5512 nM 10.6019/CHEMBL1201861
Homo sapiens A-427 IC50 323.98 nM 10.6019/CHEMBL1201861
Homo sapiens A-431 IC50 0.1831 nM 10.6019/CHEMBL1201861
Homo sapiens A498 IC50 38449.13 nM 10.6019/CHEMBL1201861
Homo sapiens A4-Fuk IC50 0.6263 nM 10.6019/CHEMBL1201861
Homo sapiens A549 Activity nan None 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 CI 1.0 None 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 EC50 100000.0 nM 10.1016/j.bmcl.2016.03.076
Homo sapiens A549 IC50 3.9 nM 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 IC50 6.8 nM 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 IC50 14.0 nM 10.1021/jm070269u
Homo sapiens A549 IC50 18.8 nM 10.1021/acs.jmedchem.1c01468
Homo sapiens A549 IC50 20.0 nM 10.1021/jm300768u
Homo sapiens A549 IC50 29.0 nM 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 IC50 44.0 nM 10.1016/j.ejmech.2021.113866
Homo sapiens A549 IC50 50.0 nM 10.1021/acs.jmedchem.6b01766
Homo sapiens A549 IC50 50.0 nM 10.1021/acs.jmedchem.8b01258
Homo sapiens A549 IC50 50.0 nM 10.1039/C7MD00319F
Homo sapiens A549 IC50 90.0 nM 10.1021/jm900852b
Homo sapiens A549 IC50 225.0 nM 10.1021/jm070269u
Homo sapiens A549 IC50 260.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens A549 IC50 380.0 nM 10.1016/j.bmcl.2022.128881
Homo sapiens A549 IC50 1000.0 nM 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 IC50 1400.0 nM 10.1016/j.bmcl.2009.03.092
Homo sapiens A549 IC50 2690.0 nM 10.1039/C5MD00158G
Homo sapiens A549 IC50 5050.0 nM 10.1016/j.bmcl.2019.08.003
Homo sapiens A549 IC50 13100.0 nM 10.1021/jm0612923
Homo sapiens A549 Inhibition 76.7 % 10.1021/jm3004009
Homo sapiens A549 Inhibition nan % 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 Inhibition_index 1.67 None 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 Inhibition_index 1.71 None 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 Inhibition_index 4.22 None 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 Inhibition_index 5.76 None 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 Ratio 0.1 None 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 Ratio 0.6 None 10.1016/j.ejmech.2015.03.064
Homo sapiens A549 Ratio 0.65 None 10.1016/j.ejmech.2015.03.064
Homo sapiens A673 IC50 34.17 nM 10.6019/CHEMBL1201861
Homo sapiens A704 IC50 53.78 nM 10.6019/CHEMBL1201861
Homo sapiens ABC-1 IC50 22.65 nM 10.6019/CHEMBL1201861
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens ACHN Activity 70.0 % 10.1016/j.bmc.2009.12.077
Homo sapiens ACHN Activity 73.0 % 10.1016/j.bmcl.2012.04.008
Homo sapiens ACHN Activity 73.0 % 10.1021/acsmedchemlett.7b00545
Homo sapiens ACHN GI 70.0 % 10.1016/j.bmc.2009.11.066
Homo sapiens ACHN GI 77.0 % 10.1016/j.bmcl.2012.01.089
Homo sapiens ACHN GI 84.0 % 10.1007/s00044-011-9834-7
Homo sapiens ACHN IC50 0.0008872 nM 10.6019/CHEMBL1201861
Homo sapiens ACHN IC50 480.0 nM 10.1016/j.bmcl.2012.01.089
Homo sapiens ACN IC50 0.2436 nM 10.6019/CHEMBL1201861
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 0.09016 nM 10.6019/CHEMBL1201861
Homo sapiens ALL-PO IC50 0.008298 nM 10.6019/CHEMBL1201861
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
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 10000.0 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 10000.0 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 10000.0 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 AM-38 IC50 0.1215 nM 10.6019/CHEMBL1201861
Homo sapiens AN3-CA IC50 203.29 nM 10.6019/CHEMBL1201861
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 0.07107 nM 10.6019/CHEMBL1201861
Homo sapiens ASPC1 Activity 43.0 % 10.1021/acs.jmedchem.0c00545
Homo sapiens ASPC1 Activity nan None 10.1021/acs.jmedchem.8b00838
Homo sapiens ASPC1 IC50 2503.01 nM 10.6019/CHEMBL1201861
Homo sapiens ASPC1 IC50 7500.0 nM 10.1021/acs.jnatprod.1c01118
Homo sapiens ASPC1 IC50 26800.0 nM 10.1016/j.bmc.2017.05.044
Homo sapiens ASPC1 IC50 29100.0 nM 10.1021/acs.jnatprod.1c00374
Homo sapiens ASPC1 IC50 35110.0 nM 10.1016/j.ejmech.2021.113999
Homo sapiens ATN-1 IC50 0.8069 nM 10.6019/CHEMBL1201861
Homo sapiens AU565 IC50 21.83 nM 10.6019/CHEMBL1201861
Homo sapiens BB30-HNC IC50 0.2312 nM 10.6019/CHEMBL1201861
Homo sapiens BB49-HNC IC50 47620.86 nM 10.6019/CHEMBL1201861
Homo sapiens BB65-RCC IC50 0.05119 nM 10.6019/CHEMBL1201861
Homo sapiens BC-3 IC50 220.65 nM 10.6019/CHEMBL1201861
Homo sapiens BCPAP IC50 1.452 nM 10.6019/CHEMBL1201861
Homo sapiens BE-13 IC50 5.21 nM 10.6019/CHEMBL1201861
Homo sapiens BEAS-2B IC50 37.0 nM 10.1016/j.ejmech.2021.113866
Homo sapiens Becker IC50 267.04 nM 10.6019/CHEMBL1201861
Homo sapiens Bel-7402 IC50 840.0 nM 10.1016/j.bmcl.2009.03.092
Homo sapiens Bel-7402 IC50 nan None 10.1016/j.ejmech.2020.112661
Homo sapiens BEN IC50 237.91 nM 10.6019/CHEMBL1201861
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-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens BFTC-905 IC50 0.00515 nM 10.6019/CHEMBL1201861
Homo sapiens BFTC-909 IC50 145.6 nM 10.6019/CHEMBL1201861
Homo sapiens BG-1 cell line IC50 680.0 nM 10.1021/jm020571x
Homo sapiens BHT-101 IC50 210.39 nM 10.6019/CHEMBL1201861
Homo sapiens BHY IC50 1.141 nM 10.6019/CHEMBL1201861
Homo sapiens BJ IC50 9880.0 nM 10.1021/jm2005173
Homo sapiens BJ IC50 50000.0 nM 10.1021/acs.jmedchem.6b01766
Homo sapiens BJ IC50 50000.0 nM 10.1021/acs.jmedchem.8b01258
Homo sapiens BJ IC50 50000.0 nM 10.1039/C7MD00319F
Homo sapiens BL-41 IC50 14.37 nM 10.6019/CHEMBL1201861
Homo sapiens BL-70 IC50 110.97 nM 10.6019/CHEMBL1201861
Homo sapiens BOKU IC50 254.33 nM 10.6019/CHEMBL1201861
Homo sapiens BPH-1 IC50 20.28 nM 10.6019/CHEMBL1201861
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens BT-20 IC50 181.74 nM 10.6019/CHEMBL1201861
Homo sapiens BT-474 IC50 53724.6 nM 10.6019/CHEMBL1201861
Homo sapiens BT-549 GI50 4.0 nM 10.1021/jm901428k
Homo sapiens BT-549 IC50 8.0 nM 10.1021/jm2005173
Homo sapiens BV-173 IC50 1.0 nM 10.1021/jm2005173
Homo sapiens BV-173 IC50 17.27 nM 10.6019/CHEMBL1201861
Homo sapiens BXPC-3 Activity 2.0 % 10.1021/acs.jmedchem.6b00547
Homo sapiens BXPC-3 Activity nan None 10.1021/acs.jmedchem.7b00049
Homo sapiens BXPC-3 GI50 3.64 nM 10.1021/jm3013008
Homo sapiens BXPC-3 GI50 3640.0 nM 10.1016/j.bmc.2012.03.038
Homo sapiens BXPC-3 IC50 5.0 nM 10.1016/j.ejmech.2020.112670
Homo sapiens BXPC-3 IC50 6.0 nM 10.1021/acs.jmedchem.7b01781
Homo sapiens BXPC-3 IC50 36.91 nM 10.6019/CHEMBL1201861
Homo sapiens BXPC-3 IC50 40.0 nM 10.1021/acs.jnatprod.1c01118
Homo sapiens BXPC-3 IC50 50.0 nM 10.1021/acs.jmedchem.1c02207
Homo sapiens BXPC-3 IC50 130.0 nM 10.1039/c9md00489k
Homo sapiens BXPC-3 IC50 160.0 nM 10.1021/jm020571x
Homo sapiens BXPC-3 IC50 670.0 nM 10.1021/jm401853a
Homo sapiens BXPC-3 IC50 2900.0 nM 10.1016/j.bmcl.2009.03.092
Homo sapiens BXPC-3 IC50 5710.0 nM 10.1039/C8MD00610E
Homo sapiens BXPC-3 IC50 20200.0 nM 10.1016/j.bmc.2017.05.044
Homo sapiens BXPC-3 IC50 25900.0 nM 10.1021/acs.jnatprod.1c00374
Homo sapiens BXPC-3 Inhibition 30.0 % 10.1039/C8MD00610E
Homo sapiens BXPC-3 Inhibition nan % 10.1016/j.bmcl.2020.126983
Homo sapiens BXPC-3 LC50 8.71 nM 10.1021/jm3013008
Homo sapiens BXPC-3 LC50 740.0 nM 10.1021/acs.jmedchem.0c02194
Homo sapiens BXPC-3 LC50 8710.0 nM 10.1016/j.bmc.2012.03.038
Homo sapiens BXPC-3 TC50 0.0029 uM 10.1016/j.ejmech.2020.113135
Homo sapiens BXPC-3 TGI 9.05 nM 10.1021/jm3013008
Homo sapiens BXPC-3 TGI 38.14 % 10.1021/jm3013008
Homo sapiens BXPC-3 TGI 9050.0 nM 10.1016/j.bmc.2012.03.038
Homo sapiens C2BBe1 IC50 13661.22 nM 10.6019/CHEMBL1201861
Homo sapiens C32 IC50 8439.27 nM 10.6019/CHEMBL1201861
Homo sapiens C-33-A IC50 0.2733 nM 10.6019/CHEMBL1201861
Homo sapiens C3A IC50 8.839 nM 10.6019/CHEMBL1201861
Homo sapiens C-4-II IC50 152.37 nM 10.6019/CHEMBL1201861
Homo sapiens C8166 IC50 13.08 nM 10.6019/CHEMBL1201861
Homo sapiens CA46 IC50 293.39 nM 10.6019/CHEMBL1201861
Homo sapiens Ca9-22 IC50 1.538 nM 10.6019/CHEMBL1201861
Homo sapiens Caco-2 GI50 180.0 nM 10.1021/jm800205c
Homo sapiens Caco-2 IC50 9400.0 nM 10.1016/j.bmcl.2021.128094
Homo sapiens Caco-2 IC50 100000.0 nM 10.1016/j.bmcl.2017.04.086
Homo sapiens CAKI-1 IC50 18040.6 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-120 IC50 575.88 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-12T IC50 1.084 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-148 IC50 17.23 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-27 IC50 35.16 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-33 IC50 1.893 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-39 IC50 16622.71 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-51 IC50 191.14 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-54 IC50 297.59 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-62 IC50 1.215 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-72 IC50 126048.15 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-85-1 IC50 144.63 nM 10.6019/CHEMBL1201861
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Calu-1 Activity 70.0 % 10.1016/j.bmc.2009.12.077
Homo sapiens Calu-1 Activity 71.0 % 10.1016/j.bmcl.2012.04.008
Homo sapiens Calu-1 Activity 79.0 % 10.1021/acsmedchemlett.7b00545
Homo sapiens Calu-1 GI 70.0 % 10.1016/j.bmc.2009.11.066
Homo sapiens Calu-1 GI 74.0 % 10.1016/j.bmcl.2012.01.089
Homo sapiens Calu-1 GI 87.0 % 10.1007/s00044-011-9834-7
Homo sapiens Calu-1 IC50 220.03 nM 10.6019/CHEMBL1201861
Homo sapiens Calu-1 IC50 520.0 nM 10.1016/j.bmcl.2012.01.089
Homo sapiens Calu-3 IC50 17.29 nM 10.6019/CHEMBL1201861
Homo sapiens Calu-6 IC50 1.735 nM 10.6019/CHEMBL1201861
Homo sapiens Calu-6 TIME 172.8 hr 10.1021/jm3012933
Homo sapiens CAMA-1 IC50 395.8 nM 10.6019/CHEMBL1201861
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 Caov-3 cell line IC50 54.13 nM 10.6019/CHEMBL1201861
Homo sapiens CAPAN-1 Activity 43.0 % 10.1021/acs.jmedchem.0c00545
Homo sapiens CAPAN-1 IC50 9.227 nM 10.6019/CHEMBL1201861
Homo sapiens CAPAN-1 IC50 19.0 nM 10.1021/acs.jmedchem.7b01781
Homo sapiens CAPAN-1 IC50 20.0 nM 10.1016/j.ejmech.2020.112088
Homo sapiens Capan-2 Activity 32.7 % 10.1016/j.bmcl.2010.02.104
Homo sapiens Capan-2 IC50 1700.0 nM 10.1016/j.bmcl.2009.03.092
Homo sapiens Capan-2 IC50 7099.87 nM 10.6019/CHEMBL1201861
Homo sapiens Capan-2 IC50 40791.0 nM 10.1016/j.ejmech.2019.03.024
Homo sapiens Capan-2 Imax 40.0 % 10.1016/j.bmcl.2020.126983
Homo sapiens CaR-1 IC50 551.22 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 955.08 nM 10.6019/CHEMBL1201861
Homo sapiens Ca-Ski IC50 7.093 nM 10.6019/CHEMBL1201861
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 CCF-STTG1 IC50 31.42 nM 10.6019/CHEMBL1201861
Homo sapiens CCRF-CEM Activity 0.53 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 0.6 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 0.78 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 2.3 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 9.5 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 24.1 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 27.1 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 30.5 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 44.8 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 54.0 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 54.7 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 56.7 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 67.1 % 10.1021/jm901428k
Homo sapiens CCRF-CEM Activity 72.3 % 10.1021/jm901428k
Homo sapiens CCRF-CEM IC50 18.85 nM 10.6019/CHEMBL1201861
Homo sapiens CCRF-CEM IC50 20.0 nM 10.1021/acs.jmedchem.6b01766
Homo sapiens CCRF-CEM IC50 20.0 nM 10.1021/acs.jmedchem.8b01258
Homo sapiens CCRF-CEM IC50 20.0 nM 10.1039/C7MD00319F
Homo sapiens CCRF-CEM IC50 69.0 nM 10.1021/jm401586a
Homo sapiens CCRF-CEM IC50 86.0 nM 10.1021/jm401853a
Homo sapiens CCRF-CEM IC50 130.0 nM 10.1021/jm070269u
Homo sapiens CCRF-CEM IC50 1000.0 nM 10.1021/jm070269u
Homo sapiens CCRF-CEM IC50 7600.0 nM 10.1021/jm401586a
Homo sapiens CCRF-CEM IC50 50000.0 nM 10.1021/jm070269u
Homo sapiens CCRF-CEM IC50 100000.0 nM 10.1021/jm070269u
Homo sapiens Cell line Growth 1942.0 % 10.1016/j.bmcl.2005.03.046
Homo sapiens Cell line Growth 2007.0 % 10.1016/j.bmcl.2005.03.046
Homo sapiens CEM-DNR IC50 100.0 nM 10.1039/C7MD00319F
Homo sapiens CEM-SS IC50 30.0 nM 10.1021/jm020571x
Homo sapiens CESS IC50 23.19 nM 10.6019/CHEMBL1201861
Homo sapiens CFPAC-1 IC50 22.0 nM 10.1016/j.ejmech.2019.03.024
Homo sapiens CFPAC-1 IC50 350.0 nM 10.1016/j.bmc.2014.02.034
Homo sapiens CFPAC-1 IC50 470.0 nM 10.1016/j.bmc.2014.02.034
Homo sapiens CGTH-W-1 IC50 2.723 nM 10.6019/CHEMBL1201861
Homo sapiens ChaGo-K-1 IC50 695.6 nM 10.6019/CHEMBL1201861
Homo sapiens CHL-1 IC50 0.03241 nM 10.6019/CHEMBL1201861
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens CHP-126 IC50 24.14 nM 10.6019/CHEMBL1201861
Homo sapiens CHP-212 IC50 2.752 nM 10.6019/CHEMBL1201861
Homo sapiens CMK IC50 0.05862 nM 10.6019/CHEMBL1201861
Homo sapiens COLO 205 Activity 3.0 % 10.1038/nchembio.90
Homo sapiens COLO 205 IC50 51.4 nM 10.1038/nchembio.90
Homo sapiens COLO 205 IC50 1471.81 nM 10.6019/CHEMBL1201861
Homo sapiens COLO 205 IC50 3000.0 nM 10.1021/jm100504d
Homo sapiens COLO 205 IC50 3240.0 nM 10.1016/j.bmcl.2013.07.059
Homo sapiens COLO-320-HSR IC50 224.08 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-668 IC50 2.66 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-678 IC50 13748.44 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-679 IC50 10.07 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-680N IC50 75.49 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-684 IC50 26.41 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-741 IC50 120.12 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-792 IC50 43293.09 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-800 IC50 40.56 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-824 IC50 123035.39 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-829 IC50 52060.11 nM 10.6019/CHEMBL1201861
Homo sapiens COR-L105 IC50 29.42 nM 10.6019/CHEMBL1201861
Homo sapiens COR-L23 IC50 14.13 nM 10.6019/CHEMBL1201861
Homo sapiens COR-L279 IC50 53.91 nM 10.6019/CHEMBL1201861
Homo sapiens COR-L88 IC50 11488.69 nM 10.6019/CHEMBL1201861
Homo sapiens CP50-MEL-B IC50 11566.99 nM 10.6019/CHEMBL1201861
Homo sapiens CP66-MEL IC50 92285.77 nM 10.6019/CHEMBL1201861
Homo sapiens CPC-N IC50 329.0 nM 10.6019/CHEMBL1201861
Homo sapiens CTB-1 IC50 53.39 nM 10.6019/CHEMBL1201861
Homo sapiens CTV-1 IC50 14.14 nM 10.6019/CHEMBL1201861
Homo sapiens CW-2 IC50 11223.73 nM 10.6019/CHEMBL1201861
Homo sapiens CWR22R IC50 96.48 nM 10.6019/CHEMBL1201861
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 Cytidine deaminase CL 250.0 mL.min-1.g-1 10.1124/dmd.112.048769
Homo sapiens Cytidine deaminase CL 300.0 mL.min-1.g-1 10.1124/dmd.112.048769
Homo sapiens Cytidine deaminase CL 350.0 mL.min-1.g-1 10.1124/dmd.112.048769
Homo sapiens Cytidine deaminase Km 562000.0 nM 10.1124/dmd.112.048769
Homo sapiens Cytidine deaminase Km 610000.0 nM 10.1124/dmd.112.048769
Homo sapiens Cytidine deaminase Km 630000.0 nM 10.1124/dmd.112.048769
Homo sapiens Cytidine deaminase Stability nan % 10.1021/jm401853a
Homo sapiens Cytidine deaminase Vmax 151.0 nmol/min/mg 10.1124/dmd.112.048769
Homo sapiens Cytidine deaminase Vmax 187.0 nmol/min/mg 10.1124/dmd.112.048769
Homo sapiens Cytidine deaminase Vmax 195.0 nmol/min/mg 10.1124/dmd.112.048769
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 D-263MG IC50 33572.59 nM 10.6019/CHEMBL1201861
Homo sapiens D283 Med IC50 126.98 nM 10.6019/CHEMBL1201861
Homo sapiens D-392MG IC50 1022.88 nM 10.6019/CHEMBL1201861
Homo sapiens D-502MG IC50 127586.05 nM 10.6019/CHEMBL1201861
Homo sapiens D-542MG IC50 32296.76 nM 10.6019/CHEMBL1201861
Homo sapiens DAN-G IC50 3.4 nM 10.1124/dmd.110.033613
Homo sapiens Daoy IC50 0.4565 nM 10.6019/CHEMBL1201861
Homo sapiens Daudi IC50 569.49 nM 10.6019/CHEMBL1201861
Homo sapiens DB IC50 84.4 nM 10.6019/CHEMBL1201861
Homo sapiens DBTRG-05MG IC50 121.82 nM 10.6019/CHEMBL1201861
Homo sapiens DEL IC50 0.08871 nM 10.6019/CHEMBL1201861
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 Deoxycytidine kinase Activity 15.0 % 10.1021/jm401586a
Homo sapiens Deoxycytidine kinase CL 491900.0 mL.min-1.g-1 10.1124/dmd.112.048769
Homo sapiens Deoxycytidine kinase Kcat 0.038 /s 10.1128/aac.00400-06
Homo sapiens Deoxycytidine kinase Kcat/Km 0.027 /uM/s 10.1128/aac.00400-06
Homo sapiens Deoxycytidine kinase Km 1400.0 nM 10.1128/aac.00400-06
Homo sapiens Deoxycytidine kinase Km 2150.0 nM 10.1124/dmd.112.048769
Homo sapiens Deoxycytidine kinase Vmax 1057.0 nmol/min/mg 10.1124/dmd.112.048769
Homo sapiens Detroit 562 IC50 10.42 nM 10.6019/CHEMBL1201861
Homo sapiens DG-75 IC50 2561.2 nM 10.6019/CHEMBL1201861
Homo sapiens DJM-1 IC50 21.59 nM 10.6019/CHEMBL1201861
Homo sapiens DK-MG IC50 55558.92 nM 10.6019/CHEMBL1201861
Homo sapiens DMS-114 IC50 70211.35 nM 10.6019/CHEMBL1201861
Homo sapiens DMS-153 IC50 4102.46 nM 10.6019/CHEMBL1201861
Homo sapiens DMS-273 IC50 3.07 nM 10.6019/CHEMBL1201861
Homo sapiens DMS-53 IC50 9.0 nM 10.1021/jm300768u
Homo sapiens DMS-53 IC50 1038.15 nM 10.6019/CHEMBL1201861
Homo sapiens DMS-79 IC50 9401.3 nM 10.6019/CHEMBL1201861
Homo sapiens DOHH-2 IC50 195.64 nM 10.6019/CHEMBL1201861
Homo sapiens DOK IC50 84059.17 nM 10.6019/CHEMBL1201861
Homo sapiens Dopamine D1 receptor AC50 10000.0 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 10000.0 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 DoTc2-4510 IC50 0.9012 nM 10.6019/CHEMBL1201861
Homo sapiens DSH1 IC50 96.5 nM 10.6019/CHEMBL1201861
Homo sapiens DU-145 IC50 3.5 nM 10.1021/jm0704604
Homo sapiens DU-145 IC50 9.29 nM 10.6019/CHEMBL1201861
Homo sapiens DU-145 IC50 35.6 nM 10.1021/jm010974h
Homo sapiens DU-145 IC50 213.0 nM 10.1016/j.ejmech.2019.01.041
Homo sapiens DU-145 IC50 399.0 nM 10.1016/j.ejmech.2020.113018
Homo sapiens DU-4475 IC50 3.143 nM 10.6019/CHEMBL1201861
Homo sapiens DV-90 IC50 8455.59 nM 10.6019/CHEMBL1201861
Homo sapiens EB2 IC50 2.012 nM 10.6019/CHEMBL1201861
Homo sapiens EB-3 IC50 11164.11 nM 10.6019/CHEMBL1201861
Homo sapiens ECC4 IC50 2927.65 nM 10.6019/CHEMBL1201861
Homo sapiens EC-GI-10 IC50 61130.08 nM 10.6019/CHEMBL1201861
Homo sapiens EFE-184 IC50 2790.42 nM 10.6019/CHEMBL1201861
Homo sapiens EFM-19 IC50 24202.89 nM 10.6019/CHEMBL1201861
Homo sapiens EFO-21 IC50 53.66 nM 10.6019/CHEMBL1201861
Homo sapiens EFO-27 IC50 9.046 nM 10.6019/CHEMBL1201861
Homo sapiens EGI-1 IC50 213.86 nM 10.6019/CHEMBL1201861
Homo sapiens EHEB IC50 226.51 nM 10.6019/CHEMBL1201861
Homo sapiens EKVX IC50 27787.46 nM 10.6019/CHEMBL1201861
Homo sapiens EM-2 IC50 159.9 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 0.6162 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 Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Equilibrative nucleoside transporter 1 IC50 190.0 nM 10.1039/c9md00489k
Homo sapiens ES1 IC50 0.02682 nM 10.6019/CHEMBL1201861
Homo sapiens ES3 IC50 44.6 nM 10.6019/CHEMBL1201861
Homo sapiens ES4 IC50 0.0006531 nM 10.6019/CHEMBL1201861
Homo sapiens ES5 IC50 186657.24 nM 10.6019/CHEMBL1201861
Homo sapiens ES6 IC50 0.5856 nM 10.6019/CHEMBL1201861
Homo sapiens ES7 IC50 19.76 nM 10.6019/CHEMBL1201861
Homo sapiens ES8 IC50 0.7802 nM 10.6019/CHEMBL1201861
Homo sapiens ESS-1 IC50 0.02858 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 8.076 nM 10.6019/CHEMBL1201861
Homo sapiens EVSA-T IC50 11960.88 nM 10.6019/CHEMBL1201861
Homo sapiens EW-1 IC50 2.223 nM 10.6019/CHEMBL1201861
Homo sapiens EW-11 IC50 433.52 nM 10.6019/CHEMBL1201861
Homo sapiens EW-13 IC50 0.01122 nM 10.6019/CHEMBL1201861
Homo sapiens EW-16 IC50 0.02299 nM 10.6019/CHEMBL1201861
Homo sapiens EW-18 IC50 72.75 nM 10.6019/CHEMBL1201861
Homo sapiens EW-24 IC50 58736.54 nM 10.6019/CHEMBL1201861
Homo sapiens EW-3 IC50 579.56 nM 10.6019/CHEMBL1201861
Homo sapiens EW-7 IC50 0.002578 nM 10.6019/CHEMBL1201861
Homo sapiens FaDu IC50 105.45 nM 10.6019/CHEMBL1201861
Homo sapiens FTC-133 Activity nan None 10.1016/j.bmc.2013.10.001
Homo sapiens FTC-133 IC50 87.49 nM 10.6019/CHEMBL1201861
Homo sapiens FTC-133 IC50 3360.0 nM 10.1016/j.bmc.2013.10.001
Homo sapiens G-361 IC50 21.07 nM 10.6019/CHEMBL1201861
Homo sapiens G-401 IC50 55.16 nM 10.6019/CHEMBL1201861
Homo sapiens G-402 IC50 0.7844 nM 10.6019/CHEMBL1201861
Homo sapiens GAK IC50 372.94 nM 10.6019/CHEMBL1201861
Homo sapiens GAMG IC50 3.739 nM 10.6019/CHEMBL1201861
Homo sapiens GB-1 IC50 5.845 nM 10.6019/CHEMBL1201861
Homo sapiens GCIY IC50 92.69 nM 10.6019/CHEMBL1201861
Homo sapiens GCT IC50 405.1 nM 10.6019/CHEMBL1201861
Homo sapiens GDM-1 IC50 62.54 nM 10.6019/CHEMBL1201861
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens GI-1 IC50 2.764 nM 10.6019/CHEMBL1201861
Homo sapiens GI-ME-N IC50 2108.51 nM 10.6019/CHEMBL1201861
Homo sapiens Glucocorticoid receptor AC50 30000.0 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 GMS-10 IC50 21606.06 nM 10.6019/CHEMBL1201861
Homo sapiens GOTO IC50 1202.77 nM 10.6019/CHEMBL1201861
Homo sapiens GP5d IC50 28.72 nM 10.6019/CHEMBL1201861
Homo sapiens GR-ST IC50 0.05953 nM 10.6019/CHEMBL1201861
Homo sapiens GT3TKB IC50 42.72 nM 10.6019/CHEMBL1201861
Homo sapiens H4 IC50 2.175 nM 10.6019/CHEMBL1201861
Homo sapiens HAL-01 IC50 8.195 nM 10.6019/CHEMBL1201861
Homo sapiens HC-1 IC50 0.3273 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1143 IC50 16354.11 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1187 IC50 150072.87 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1395 IC50 85540.16 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1419 IC50 13571.5 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1569 IC50 109.36 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1599 IC50 70.22 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1806 IC50 2.908 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1937 IC50 68877.46 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1954 IC50 9974.04 nM 10.6019/CHEMBL1201861
Homo sapiens HCC2157 IC50 2806.78 nM 10.6019/CHEMBL1201861
Homo sapiens HCC2218 IC50 75726.18 nM 10.6019/CHEMBL1201861
Homo sapiens HCC 2998 IC50 6.339 nM 10.6019/CHEMBL1201861
Homo sapiens HCC38 IC50 21.95 nM 10.6019/CHEMBL1201861
Homo sapiens HCC70 IC50 12051.08 nM 10.6019/CHEMBL1201861
Homo sapiens HCE-4 IC50 0.05283 nM 10.6019/CHEMBL1201861
Homo sapiens HCE-T IC50 12.42 nM 10.6019/CHEMBL1201861
Homo sapiens HCT-116 Activity 3.0 % 10.1038/nchembio.90
Homo sapiens HCT-116 Activity 43.0 % 10.1021/acs.jmedchem.0c00545
Homo sapiens HCT-116 Activity 73.0 % 10.1021/acsmedchemlett.7b00545
Homo sapiens HCT-116 Activity 74.0 % 10.1016/j.bmcl.2012.04.008
Homo sapiens HCT-116 Activity 76.0 % 10.1016/j.bmc.2009.12.077
Homo sapiens HCT-116 Activity nan None 10.1039/C5MD00158G
Homo sapiens HCT-116 GI 76.0 % 10.1016/j.bmc.2009.11.066
Homo sapiens HCT-116 GI 86.0 % 10.1007/s00044-011-9834-7
Homo sapiens HCT-116 GI 86.0 % 10.1016/j.bmcl.2012.01.089
Homo sapiens HCT-116 IC50 5.0 nM 10.1021/jm900852b
Homo sapiens HCT-116 IC50 6.0 nM 10.1021/jm100504d
Homo sapiens HCT-116 IC50 9.7 nM 10.1038/nchembio.90
Homo sapiens HCT-116 IC50 30.0 nM 10.1021/acs.jmedchem.6b01766
Homo sapiens HCT-116 IC50 30.0 nM 10.1021/acs.jmedchem.7b00530
Homo sapiens HCT-116 IC50 30.0 nM 10.1021/acs.jmedchem.8b01258
Homo sapiens HCT-116 IC50 30.0 nM 10.1039/C7MD00319F
Homo sapiens HCT-116 IC50 50.0 nM 10.1021/acsmedchemlett.1c00565
Homo sapiens HCT-116 IC50 50.83 nM 10.6019/CHEMBL1201861
Homo sapiens HCT-116 IC50 320.0 nM 10.1016/j.bmcl.2012.01.089
Homo sapiens HCT-116 IC50 410.0 nM 10.1021/acs.jmedchem.6b01766
Homo sapiens HCT-116 IC50 410.0 nM 10.1021/acs.jmedchem.8b01258
Homo sapiens HCT-116 IC50 410.0 nM 10.1039/C7MD00319F
Homo sapiens HCT-116 IC50 3050.0 nM 10.1016/j.bmcl.2022.128881
Homo sapiens HCT-116 IC50 14300.0 nM 10.1021/jm070731a
Homo sapiens HCT-116 IC50 nan None 10.1021/jm2005173
Homo sapiens HCT-116 LD50 0.005 uM 10.1021/np401017g
Homo sapiens HCT-15 Activity 3.0 % 10.1038/nchembio.90
Homo sapiens HCT-15 GI50 3.0 nM 10.1021/jm901428k
Homo sapiens HCT-15 IC50 9.9 nM 10.1038/nchembio.90
Homo sapiens HCT-15 IC50 10.0 nM 10.1021/jm100504d
Homo sapiens HCT-15 IC50 82.16 nM 10.6019/CHEMBL1201861
Homo sapiens HCT-15 IC50 11800.0 nM 10.1021/jm070731a
Homo sapiens HCT-8 IC50 1740.0 nM 10.1016/j.bmcl.2009.03.092
Homo sapiens HDLM-2 IC50 1633.27 nM 10.6019/CHEMBL1201861
Homo sapiens HD-MY-Z IC50 6.679 nM 10.6019/CHEMBL1201861
Homo sapiens HEC-1 IC50 123.63 nM 10.6019/CHEMBL1201861
Homo sapiens HEK293 IC50 50.0 nM 10.1021/acs.jmedchem.1c02207
Homo sapiens HEK293 TC50 0.56 uM 10.1016/j.ejmech.2020.113135
Homo sapiens HEL CC50 3.6 nM 10.1021/acsmedchemlett.0c00485
Homo sapiens HEL IC50 1.791 nM 10.6019/CHEMBL1201861
Homo sapiens HEL IC50 480.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens HEL MCC 20000.0 nM 10.1021/acsmedchemlett.0c00485
Homo sapiens HeLa Activity 3.0 % 10.1038/nchembio.90
Homo sapiens HeLa Activity 47.0 % 10.1016/j.ejmech.2019.05.067
Homo sapiens HeLa Activity 73.0 % 10.1016/j.ejmech.2019.05.067
Homo sapiens HeLa IC50 8.0 nM 10.1021/jm020571x
Homo sapiens HeLa IC50 9.9 nM 10.1021/jm401586a
Homo sapiens HeLa IC50 50.0 nM 10.1016/j.bmcl.2012.08.023
Homo sapiens HeLa IC50 900.0 nM 10.1016/j.bmc.2014.02.034
Homo sapiens HeLa IC50 1990.0 nM 10.1016/j.bmcl.2022.128881
Homo sapiens HeLa IC50 2740.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens HeLa IC50 3300.0 nM 10.1016/j.ejmech.2015.02.021
Homo sapiens HeLa IC50 4120.0 nM 10.1021/jm2005173
Homo sapiens HeLa IC50 9420.0 nM 10.1016/j.bmcl.2019.08.003
Homo sapiens HeLa IC50 10000.0 nM 10.1016/j.bmc.2014.02.034
Homo sapiens HeLa IC50 10000.0 nM 10.1021/jm100504d
Homo sapiens HeLa IC50 10000.0 nM 10.1038/nchembio.90
Homo sapiens HeLa LD50 0.023 uM 10.1021/np401017g
Homo sapiens HeLa S3 IC50 nan None 10.1021/acs.jmedchem.6b01766
Homo sapiens HeLa S3 IC50 nan None 10.1021/acs.jmedchem.8b01258
Homo sapiens HepG2 Activity nan None 10.1039/C5MD00158G
Homo sapiens HepG2 IC50 2970.0 nM 10.1039/C5MD00158G
Homo sapiens HepG2 IC50 4900.0 nM 10.1016/j.bmcl.2019.08.003
Homo sapiens HepG2 IC50 nan None 10.1021/acs.jmedchem.6b01766
Homo sapiens HepG2 IC50 nan None 10.1021/acs.jmedchem.8b01258
Homo sapiens HepG2 IC50 nan None 10.1039/d1md00306b
Homo sapiens HepG2 TC50 0.31 uM 10.1016/j.ejmech.2020.113135
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 HFF-1 IC50 14380.0 nM 10.1021/acs.jmedchem.1c02207
Homo sapiens HGC-27 IC50 9.601 nM 10.6019/CHEMBL1201861
Homo sapiens HH IC50 35.06 nM 10.6019/CHEMBL1201861
Homo sapiens Histamine H1 receptor AC50 10000.0 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 10000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histidine triad nucleotide-binding protein 1 Drug metabolism nan None 10.1016/j.bmc.2014.02.034
Homo sapiens Histidine triad nucleotide-binding protein 1 Retention_time 11.8 min 10.1016/j.bmc.2014.02.034
Homo sapiens Histone deacetylase 6 Inhibition -4.87 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 0.29 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 Activity 6.1 % 10.1021/jm800205c
Homo sapiens HL-60 Activity 13.9 % 10.1021/jm800205c
Homo sapiens HL-60 IC50 15.69 nM 10.6019/CHEMBL1201861
Homo sapiens HL-60 IC50 330.0 nM 10.1021/jm020571x
Homo sapiens HL-60 IC50 nan None 10.1021/acs.jmedchem.6b01766
Homo sapiens HL-60 IC50 nan None 10.1021/acs.jmedchem.8b01258
Homo sapiens HLE IC50 3.004 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 24.34 nM 10.6019/CHEMBL1201861
Homo sapiens HN IC50 54.09 nM 10.6019/CHEMBL1201861
Homo sapiens HO-1-N-1 IC50 23.77 nM 10.6019/CHEMBL1201861
Homo sapiens Homo sapiens CL 32.0 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 3.2 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 8.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens HOP-62 IC50 222.58 nM 10.6019/CHEMBL1201861
Homo sapiens HOP-92 IC50 950.75 nM 10.6019/CHEMBL1201861
Homo sapiens HOS IC50 0.04803 nM 10.6019/CHEMBL1201861
Homo sapiens HPAC IC50 73.0 nM 10.1021/jm2005173
Homo sapiens HPAF-II IC50 428.47 nM 10.6019/CHEMBL1201861
Homo sapiens Hs-578T IC50 61198.89 nM 10.6019/CHEMBL1201861
Homo sapiens HSC-2 IC50 3.03 nM 10.6019/CHEMBL1201861
Homo sapiens HSC-3 IC50 1.905 nM 10.6019/CHEMBL1201861
Homo sapiens HSC-4 IC50 0.1022 nM 10.6019/CHEMBL1201861
Homo sapiens HT IC50 5931.53 nM 10.6019/CHEMBL1201861
Homo sapiens HT-1080 IC50 5.834 nM 10.6019/CHEMBL1201861
Homo sapiens HT1197 IC50 1764.25 nM 10.6019/CHEMBL1201861
Homo sapiens HT-1376 IC50 368.95 nM 10.6019/CHEMBL1201861
Homo sapiens HT-144 IC50 4.92 nM 10.6019/CHEMBL1201861
Homo sapiens HT-29 Activity 4.3 % 10.1016/j.ejmech.2018.03.075
Homo sapiens HT-29 Activity 10.5 % 10.1016/j.ejmech.2018.03.075
Homo sapiens HT-29 Activity 85.2 % 10.1016/j.ejmech.2018.03.075
Homo sapiens HT-29 GI 30.0 % 10.1016/j.bmcl.2017.04.086
Homo sapiens HT-29 GI50 30.0 nM 10.1021/jm800205c
Homo sapiens HT-29 IC50 0.04128 nM 10.6019/CHEMBL1201861
Homo sapiens HT-29 IC50 3.0 nM 10.1021/jm010974h
Homo sapiens HT-29 IC50 43.0 nM 10.1021/jm020571x
Homo sapiens HT-29 IC50 520.0 nM 10.1016/j.bmcl.2015.05.015
Homo sapiens HT-29 IC50 1530.0 nM 10.1021/jm2005173
Homo sapiens HT-29 IC50 1950.0 nM 10.1016/j.bmcl.2013.07.059
Homo sapiens HT-29 IC50 100000.0 nM 10.1016/j.bmcl.2017.04.086
Homo sapiens HT-29 LC50 700.0 nM 10.1021/acs.jmedchem.0c02194
Homo sapiens HT-29 T/C 57.7 % 10.1021/acs.jmedchem.1c00994
Homo sapiens HT-29 TIME 55.2 hr 10.1021/jm3012933
Homo sapiens HT-3 IC50 200.54 nM 10.6019/CHEMBL1201861
Homo sapiens HT55 IC50 16410.31 nM 10.6019/CHEMBL1201861
Homo sapiens HTC-C3 IC50 996.5 nM 10.6019/CHEMBL1201861
Homo sapiens HuCCT-1 IC50 20.58 nM 10.6019/CHEMBL1201861
Homo sapiens Huh-7 IC50 568.61 nM 10.6019/CHEMBL1201861
Homo sapiens Huh-7 IC50 740.0 nM 10.1016/j.bmcl.2022.128881
Homo sapiens Huh-7 TC50 3.4 uM 10.1016/j.ejmech.2020.113135
Homo sapiens Huh-7 TC50 35.0 uM 10.1016/j.ejmech.2020.113135
Homo sapiens Huh-7 TC50 500.0 uM 10.1016/j.ejmech.2020.113135
Homo sapiens HuO-3N1 IC50 46332.05 nM 10.6019/CHEMBL1201861
Homo sapiens HuP-T3 IC50 145.65 nM 10.6019/CHEMBL1201861
Homo sapiens HuP-T4 IC50 27.3 nM 10.6019/CHEMBL1201861
Homo sapiens HuTu80 IC50 0.01664 nM 10.6019/CHEMBL1201861
Homo sapiens HUVEC IC50 3.0 nM 10.1016/j.bmc.2014.02.034
Homo sapiens IA-LM IC50 5.906 nM 10.6019/CHEMBL1201861
Homo sapiens IGR-1 IC50 14.42 nM 10.6019/CHEMBL1201861
Homo sapiens IGROV-1 IC50 0.145 nM 10.6019/CHEMBL1201861
Homo sapiens IM-9 IC50 346.91 nM 10.6019/CHEMBL1201861
Homo sapiens IMR-5 IC50 82.96 nM 10.6019/CHEMBL1201861
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 254.77 nM 10.6019/CHEMBL1201861
Homo sapiens IST-MEL1 IC50 0.07259 nM 10.6019/CHEMBL1201861
Homo sapiens IST-MES1 IC50 773.54 nM 10.6019/CHEMBL1201861
Homo sapiens IST-SL1 IC50 197.47 nM 10.6019/CHEMBL1201861
Homo sapiens IST-SL2 IC50 0.05844 nM 10.6019/CHEMBL1201861
Homo sapiens J82 IC50 7.41 nM 10.6019/CHEMBL1201861
Homo sapiens JAR IC50 78963.52 nM 10.6019/CHEMBL1201861
Homo sapiens JEG-3 IC50 276.69 nM 10.6019/CHEMBL1201861
Homo sapiens JIYOYE IC50 39.38 nM 10.6019/CHEMBL1201861
Homo sapiens J-RT3-T3-5 IC50 67.18 nM 10.6019/CHEMBL1201861
Homo sapiens Jurkat Activity 20.0 % 10.1038/nchembio.90
Homo sapiens Jurkat EC50 23.0 nM 10.1016/j.bmcl.2016.03.076
Homo sapiens Jurkat IC50 30.0 nM 10.1021/jm100504d
Homo sapiens Jurkat IC50 45.3 nM 10.1038/nchembio.90
Homo sapiens Jurkat LD50 0.012 uM 10.1021/np401017g
Homo sapiens JVM-2 IC50 131795.17 nM 10.6019/CHEMBL1201861
Homo sapiens JVM-3 IC50 69791.27 nM 10.6019/CHEMBL1201861
Homo sapiens K052 IC50 136.71 nM 10.6019/CHEMBL1201861
Homo sapiens K5 IC50 682.69 nM 10.6019/CHEMBL1201861
Homo sapiens K562 Activity 3.0 % 10.1038/nchembio.90
Homo sapiens K562 GI50 320.0 nM 10.1021/jm800205c
Homo sapiens K562 IC50 6.0 nM 10.1021/jm2005173
Homo sapiens K562 IC50 50.0 nM 10.1016/j.bmc.2014.02.034
Homo sapiens K562 IC50 100.0 nM 10.1021/acs.jmedchem.6b01766
Homo sapiens K562 IC50 100.0 nM 10.1021/acs.jmedchem.8b01258
Homo sapiens K562 IC50 100.0 nM 10.1039/C7MD00319F
Homo sapiens K562 IC50 110.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens K562 IC50 332.98 nM 10.6019/CHEMBL1201861
Homo sapiens K562 IC50 600.0 nM 10.1021/jm100504d
Homo sapiens K562 IC50 718.0 nM 10.1021/jm2005173
Homo sapiens K562 IC50 745.9 nM 10.1038/nchembio.90
Homo sapiens K562 IC50 nan None 10.1021/jm900852b
Homo sapiens KALS-1 IC50 21.39 nM 10.6019/CHEMBL1201861
Homo sapiens Kappa opioid receptor AC50 10000.0 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 KARPAS-299 IC50 252.0 nM 10.6019/CHEMBL1201861
Homo sapiens KARPAS-422 IC50 85.79 nM 10.6019/CHEMBL1201861
Homo sapiens KARPAS-45 IC50 27564.84 nM 10.6019/CHEMBL1201861
Homo sapiens KB IC50 8210.0 nM 10.1016/j.bmcl.2019.08.003
Homo sapiens KE-37 IC50 0.005611 nM 10.6019/CHEMBL1201861
Homo sapiens KG-1 IC50 1.8 nM 10.1021/acsmedchemlett.1c00565
Homo sapiens KG-1 IC50 62.2 nM 10.6019/CHEMBL1201861
Homo sapiens KG-1 IC50 860.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens KG-1a Activity 3.8 % 10.1021/acs.jmedchem.0c02194
Homo sapiens KG-1a Activity 3.9 % 10.1021/acs.jmedchem.0c02194
Homo sapiens KG-1a Activity 4.1 % 10.1021/acs.jmedchem.0c02194
Homo sapiens KG-1a Activity nan None 10.1021/acs.jmedchem.0c02194
Homo sapiens KG-1a LC50 1800.0 nM 10.1021/acs.jmedchem.0c02194
Homo sapiens KGN IC50 0.01081 nM 10.6019/CHEMBL1201861
Homo sapiens KINGS-1 IC50 30879.02 nM 10.6019/CHEMBL1201861
Homo sapiens KLE IC50 459.42 nM 10.6019/CHEMBL1201861
Homo sapiens KM12 IC50 91.49 nM 10.6019/CHEMBL1201861
Homo sapiens KM-H2 IC50 260.68 nM 10.6019/CHEMBL1201861
Homo sapiens KMOE-2 IC50 154.93 nM 10.6019/CHEMBL1201861
Homo sapiens KMS-12-PE IC50 3559.98 nM 10.6019/CHEMBL1201861
Homo sapiens KNS-42 IC50 735.82 nM 10.6019/CHEMBL1201861
Homo sapiens KNS-81-FD IC50 1234.63 nM 10.6019/CHEMBL1201861
Homo sapiens KOSC-2 IC50 2353.38 nM 10.6019/CHEMBL1201861
Homo sapiens KP-4 IC50 5.611 nM 10.6019/CHEMBL1201861
Homo sapiens KP-N-YN IC50 18888.51 nM 10.6019/CHEMBL1201861
Homo sapiens KP-N-YS IC50 14.97 nM 10.6019/CHEMBL1201861
Homo sapiens KS-1 IC50 166.52 nM 10.6019/CHEMBL1201861
Homo sapiens KU-19-19 IC50 16812.35 nM 10.6019/CHEMBL1201861
Homo sapiens KU812 cell line IC50 1.913 nM 10.6019/CHEMBL1201861
Homo sapiens KURAMOCHI IC50 1497.39 nM 10.6019/CHEMBL1201861
Homo sapiens KY821 IC50 2881.4 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-140 IC50 27.91 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-150 cell line IC50 8.469 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-180 IC50 12.81 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-270 IC50 0.6341 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-410 IC50 55.87 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-450 IC50 6.315 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-510 IC50 0.000975 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-520 cell line IC50 92.84 nM 10.6019/CHEMBL1201861
Homo sapiens KYSE-70 cell line IC50 299.69 nM 10.6019/CHEMBL1201861
Homo sapiens L02 IC50 5430.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens L02 IC50 20000.0 nM 10.1016/j.bmc.2017.05.044
Homo sapiens L-363 IC50 95.5 nM 10.6019/CHEMBL1201861
Homo sapiens L-428 IC50 23.62 nM 10.6019/CHEMBL1201861
Homo sapiens L-540 IC50 1.602 nM 10.6019/CHEMBL1201861
Homo sapiens LAMA-84 IC50 115.04 nM 10.6019/CHEMBL1201861
Homo sapiens LAN-6 IC50 46644.08 nM 10.6019/CHEMBL1201861
Homo sapiens LB1047-RCC IC50 0.2688 nM 10.6019/CHEMBL1201861
Homo sapiens LB2241-RCC IC50 0.03179 nM 10.6019/CHEMBL1201861
Homo sapiens LB2518-MEL IC50 64.52 nM 10.6019/CHEMBL1201861
Homo sapiens LB373-MEL-D IC50 1664.95 nM 10.6019/CHEMBL1201861
Homo sapiens LB647-SCLC IC50 1.18 nM 10.6019/CHEMBL1201861
Homo sapiens LB771-HNC IC50 16987.61 nM 10.6019/CHEMBL1201861
Homo sapiens LB831-BLC IC50 41.85 nM 10.6019/CHEMBL1201861
Homo sapiens LB996-RCC IC50 65.09 nM 10.6019/CHEMBL1201861
Homo sapiens LC-1F IC50 13457.52 nM 10.6019/CHEMBL1201861
Homo sapiens LC-2-ad IC50 0.06528 nM 10.6019/CHEMBL1201861
Homo sapiens LC4-1 IC50 74.74 nM 10.6019/CHEMBL1201861
Homo sapiens LCLC-103H cell line IC50 33.25 nM 10.6019/CHEMBL1201861
Homo sapiens LCLC-97TM1 IC50 0.2673 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 LK-2 IC50 2085.63 nM 10.6019/CHEMBL1201861
Homo sapiens LN-405 IC50 11844.79 nM 10.6019/CHEMBL1201861
Homo sapiens LNCaP IC50 512.0 nM 10.1021/jm2005173
Homo sapiens LNCaP LC50 2800.0 nM 10.1021/acs.jmedchem.0c02194
Homo sapiens LNCaP-Clone-FGC IC50 2654.15 nM 10.6019/CHEMBL1201861
Homo sapiens LOUCY IC50 20.66 nM 10.6019/CHEMBL1201861
Homo sapiens LoVo IC50 5.714 nM 10.6019/CHEMBL1201861
Homo sapiens LOX IMVI IC50 1.596 nM 10.6019/CHEMBL1201861
Homo sapiens LP-1 IC50 7309.69 nM 10.6019/CHEMBL1201861
Homo sapiens LS-1034 IC50 1384.5 nM 10.6019/CHEMBL1201861
Homo sapiens LS-123 IC50 40.28 nM 10.6019/CHEMBL1201861
Homo sapiens LS-411N IC50 29.88 nM 10.6019/CHEMBL1201861
Homo sapiens LS-513 IC50 887.61 nM 10.6019/CHEMBL1201861
Homo sapiens LU-134-A IC50 40.02 nM 10.6019/CHEMBL1201861
Homo sapiens LU-139 IC50 14.59 nM 10.6019/CHEMBL1201861
Homo sapiens LU-165 IC50 8410.85 nM 10.6019/CHEMBL1201861
Homo sapiens Lu-65 IC50 303.81 nM 10.6019/CHEMBL1201861
Homo sapiens LU-99A IC50 9137.42 nM 10.6019/CHEMBL1201861
Homo sapiens LXF-289 cell line IC50 3.314 nM 10.6019/CHEMBL1201861
Homo sapiens M059J IC50 21.08 nM 10.6019/CHEMBL1201861
Homo sapiens M14 IC50 514.66 nM 10.6019/CHEMBL1201861
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 481.66 nM 10.6019/CHEMBL1201861
Homo sapiens MC-CAR IC50 11.58 nM 10.6019/CHEMBL1201861
Homo sapiens MCF-10A IC50 10000.0 nM 10.1016/j.bmcl.2012.01.089
Homo sapiens MCF7 Activity 3.0 % 10.1038/nchembio.90
Homo sapiens MCF7 GI50 10.0 nM 10.1021/jm800205c
Homo sapiens MCF7 IC50 0.1359 nM 10.6019/CHEMBL1201861
Homo sapiens MCF7 IC50 1.4 nM 10.1039/c9md00489k
Homo sapiens MCF7 IC50 7.2 nM 10.1021/jm401586a
Homo sapiens MCF7 IC50 38.0 nM 10.1016/j.ejmech.2019.01.041
Homo sapiens MCF7 IC50 60.0 nM 10.1016/j.bmcl.2012.08.023
Homo sapiens MCF7 IC50 80.0 nM 10.1021/jm100504d
Homo sapiens MCF7 IC50 80.3 nM 10.1038/nchembio.90
Homo sapiens MCF7 IC50 149.0 nM 10.1021/jm2005173
Homo sapiens MCF7 IC50 150.0 nM 10.1016/j.bmcl.2015.05.015
Homo sapiens MCF7 IC50 570.0 nM 10.1021/acs.jmedchem.6b01745
Homo sapiens MCF7 IC50 1660.0 nM 10.1021/jm020571x
Homo sapiens MCF7 IC50 3280.0 nM 10.1016/j.bmcl.2009.03.092
Homo sapiens MCF7 IC50 6100.0 nM 10.1016/j.bmcl.2021.128094
Homo sapiens MCF7 IC50 8900.0 nM 10.1021/acs.jmedchem.6b01745
Homo sapiens MCF7 LD50 0.004 uM 10.1021/np401017g
Homo sapiens MCF7 Ratio IC50 15.6 None 10.1021/acs.jmedchem.6b01745
Homo sapiens MCF7 TC50 0.067 uM 10.1016/j.ejmech.2020.113135
Homo sapiens MC-IXC IC50 2.264 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-134-VI IC50 152274.07 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-157 IC50 38553.31 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-175-VII IC50 2514.93 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-231 Activity nan None 10.1021/jm0704604
Homo sapiens MDA-MB-231 GI50 0.251 nM 10.1021/acs.jmedchem.7b01490
Homo sapiens MDA-MB-231 IC50 11.4 nM 10.1021/jm0704604
Homo sapiens MDA-MB-231 IC50 25.0 nM 10.1021/jm500613m
Homo sapiens MDA-MB-231 IC50 27.78 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-231 IC50 30.0 nM 10.1021/acs.jmedchem.7b00530
Homo sapiens MDA-MB-231 IC50 36.4 nM 10.1021/acsmedchemlett.8b00125
Homo sapiens MDA-MB-231 IC50 61.5 nM 10.1021/acs.jmedchem.2c00608
Homo sapiens MDA-MB-231 IC50 190.0 nM 10.1016/j.ejmech.2015.02.021
Homo sapiens MDA-MB-231 IC50 245.0 nM 10.1021/jm2005173
Homo sapiens MDA-MB-231 IC50 650.0 nM 10.1016/j.bmcl.2015.05.015
Homo sapiens MDA-MB-231 IC50 818.0 nM 10.1016/j.bmcl.2022.128881
Homo sapiens MDA-MB-231 IC50 1150.0 nM 10.1016/j.bmcl.2020.127758
Homo sapiens MDA-MB-231 IC50 1567.0 nM 10.1016/j.ejmech.2019.01.041
Homo sapiens MDA-MB-231 IC50 1670.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens MDA-MB-231 IC50 2010.0 nM 10.1016/j.bmcl.2022.128881
Homo sapiens MDA-MB-231 IC50 2100.0 nM 10.1016/j.ejmech.2020.112948
Homo sapiens MDA-MB-231 IC50 2220.0 nM 10.1016/j.bmc.2022.116672
Homo sapiens MDA-MB-231 IC50 7210.0 nM 10.1016/j.bmcl.2022.128881
Homo sapiens MDA-MB-231 IC50 8000.0 nM 10.1016/j.bmcl.2021.128094
Homo sapiens MDA-MB-231 IC50 10000.0 nM 10.1021/jm500613m
Homo sapiens MDA-MB-231 Inhibition 1.0 % 10.1016/j.bmc.2010.09.028
Homo sapiens MDA-MB-231 Inhibition 17.7 % 10.1016/j.bmc.2010.09.028
Homo sapiens MDA-MB-361 IC50 460.64 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-415 IC50 9953.36 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-453 IC50 22218.36 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-468 IC50 14.12 nM 10.6019/CHEMBL1201861
Homo sapiens ME-180 IC50 38.8 nM 10.6019/CHEMBL1201861
Homo sapiens MEG-01 IC50 1.266 nM 10.6019/CHEMBL1201861
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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 5.162 nM 10.6019/CHEMBL1201861
Homo sapiens MEL-JUSO IC50 0.03908 nM 10.6019/CHEMBL1201861
Homo sapiens MES-SA IC50 0.9049 nM 10.6019/CHEMBL1201861
Homo sapiens MES-SA/Dx5 IC50 9.2 nM 10.1021/jm010974h
Homo sapiens MeWo IC50 8437.15 nM 10.6019/CHEMBL1201861
Homo sapiens MFE-280 IC50 5903.88 nM 10.6019/CHEMBL1201861
Homo sapiens MFE-296 IC50 51.35 nM 10.6019/CHEMBL1201861
Homo sapiens MFH-ino IC50 1.656 nM 10.6019/CHEMBL1201861
Homo sapiens MFM-223 IC50 205508.21 nM 10.6019/CHEMBL1201861
Homo sapiens MG-63 IC50 1.335 nM 10.6019/CHEMBL1201861
Homo sapiens MGC-803 IC50 nan None 10.1016/j.ejmech.2020.112661
Homo sapiens MGC-803 IC50 nan None 10.1039/d1md00306b
Homo sapiens MHH-CALL-2 IC50 1023.19 nM 10.6019/CHEMBL1201861
Homo sapiens MHH-ES-1 IC50 0.05311 nM 10.6019/CHEMBL1201861
Homo sapiens MHH-NB-11 IC50 385.97 nM 10.6019/CHEMBL1201861
Homo sapiens MHH-PREB-1 IC50 248.04 nM 10.6019/CHEMBL1201861
Homo sapiens MIA PaCa-2 Activity -75.6 % 10.1021/acsmedchemlett.0c00317
Homo sapiens MIA PaCa-2 Activity -71.1 % 10.1021/acsmedchemlett.0c00317
Homo sapiens MIA PaCa-2 Activity -66.7 % 10.1021/acs.jmedchem.7b01781
Homo sapiens MIA PaCa-2 Activity -61.7 % 10.1021/acs.jmedchem.7b01781
Homo sapiens MIA PaCa-2 Activity 0.0 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 0.0 % None
Homo sapiens MIA PaCa-2 Activity 0.13 cm3 10.1021/acsmedchemlett.0c00317
Homo sapiens MIA PaCa-2 Activity 0.35 % 10.1021/jm300534u
Homo sapiens MIA PaCa-2 Activity 0.39 cm3 10.1021/acsmedchemlett.0c00317
Homo sapiens MIA PaCa-2 Activity 0.8 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 0.8 g None
Homo sapiens MIA PaCa-2 Activity 0.86 % 10.1021/jm300534u
Homo sapiens MIA PaCa-2 Activity 0.93 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 2.01 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 2.1 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 2.2 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 2.3 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 2.4 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 2.4 g None
Homo sapiens MIA PaCa-2 Activity 2.6 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 2.8 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 3.5 g None
Homo sapiens MIA PaCa-2 Activity 4.0 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 5.2 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 7.6 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 7.9 % 10.1021/jm300534u
Homo sapiens MIA PaCa-2 Activity 10.47 % 10.1021/jm300534u
Homo sapiens MIA PaCa-2 Activity 10.8 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 16.1 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 21.04 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 34.0 % 10.1016/j.bmcl.2006.04.005
Homo sapiens MIA PaCa-2 Activity 45.0 % 10.1016/j.ejmech.2021.113579
Homo sapiens MIA PaCa-2 Activity 50.0 % 10.1016/j.bmcl.2013.03.003
Homo sapiens MIA PaCa-2 Activity 56.0 % None
Homo sapiens MIA PaCa-2 Activity 60.0 % None
Homo sapiens MIA PaCa-2 Activity 70.4 % 10.1016/j.bmcl.2010.02.104
Homo sapiens MIA PaCa-2 Activity 75.0 % None
Homo sapiens MIA PaCa-2 Activity 78.03 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 79.1 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 83.0 % None
Homo sapiens MIA PaCa-2 Activity 85.0 % None
Homo sapiens MIA PaCa-2 Activity 86.5 % 10.1021/acs.jmedchem.6b00547
Homo sapiens MIA PaCa-2 Activity 87.2 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 89.3 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 90.0 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 93.7 % 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 Activity 387.0 mm3 10.1021/acs.jmedchem.7b01463
Homo sapiens MIA PaCa-2 Activity 437.0 g None
Homo sapiens MIA PaCa-2 Activity 454.0 g None
Homo sapiens MIA PaCa-2 Activity 536.8 % 10.1016/j.bmc.2012.03.038
Homo sapiens MIA PaCa-2 Activity 606.0 g None
Homo sapiens MIA PaCa-2 Activity 1477.0 mm3 None
Homo sapiens MIA PaCa-2 Activity 3963.0 mm3 None
Homo sapiens MIA PaCa-2 Activity 4849.0 mm3 None
Homo sapiens MIA PaCa-2 Activity nan None 10.1021/acs.jmedchem.7b01463
Homo sapiens MIA PaCa-2 Activity nan None 10.1021/jm300534u
Homo sapiens MIA PaCa-2 Activity nan None 10.1021/np300295h
Homo sapiens MIA PaCa-2 Activity nan None None
Homo sapiens MIA PaCa-2 EC50 1.5 nM 10.1021/acsmedchemlett.6b00392
Homo sapiens MIA PaCa-2 FC 2.0 None 10.1021/jm800927r
Homo sapiens MIA PaCa-2 GI 13.0 % None
Homo sapiens MIA PaCa-2 GI 21.0 % None
Homo sapiens MIA PaCa-2 GI 21.2 % None
Homo sapiens MIA PaCa-2 GI 21.7 % None
Homo sapiens MIA PaCa-2 GI 22.0 % None
Homo sapiens MIA PaCa-2 GI 26.0 % None
Homo sapiens MIA PaCa-2 GI 26.3 % None
Homo sapiens MIA PaCa-2 GI 30.1 % None
Homo sapiens MIA PaCa-2 GI 32.0 % None
Homo sapiens MIA PaCa-2 GI 32.4 % None
Homo sapiens MIA PaCa-2 GI 45.9 % None
Homo sapiens MIA PaCa-2 GI 46.0 % None
Homo sapiens MIA PaCa-2 GI 46.4 % None
Homo sapiens MIA PaCa-2 GI 47.7 % None
Homo sapiens MIA PaCa-2 GI 49.0 % None
Homo sapiens MIA PaCa-2 GI 49.2 % None
Homo sapiens MIA PaCa-2 GI 64.2 % None
Homo sapiens MIA PaCa-2 GI nan None None
Homo sapiens MIA PaCa-2 GI50 35.83 nM 10.1021/jm3013008
Homo sapiens MIA PaCa-2 GI50 35830.0 nM 10.1016/j.bmc.2012.03.038
Homo sapiens MIA PaCa-2 IC50 16.0 nM 10.1016/j.ejmech.2019.03.024
Homo sapiens MIA PaCa-2 IC50 23.36 nM 10.6019/CHEMBL1201861
Homo sapiens MIA PaCa-2 IC50 60.0 nM 10.1016/j.bmcl.2012.08.023
Homo sapiens MIA PaCa-2 IC50 110.0 nM 10.1021/acs.jmedchem.1c02207
Homo sapiens MIA PaCa-2 IC50 110.0 nM 10.1021/acs.jmedchem.7b01463
Homo sapiens MIA PaCa-2 IC50 120.0 nM 10.1016/j.ejmech.2018.02.030
Homo sapiens MIA PaCa-2 IC50 230.0 nM 10.1016/j.bmcl.2020.127758
Homo sapiens MIA PaCa-2 IC50 360.0 nM 10.1016/j.bmc.2022.116672
Homo sapiens MIA PaCa-2 IC50 1040.0 nM 10.1021/jm401853a
Homo sapiens MIA PaCa-2 IC50 3300.0 nM 10.1021/acs.jmedchem.7b01463
Homo sapiens MIA PaCa-2 Inhibition 29.0 % 10.1021/jm800927r
Homo sapiens MIA PaCa-2 Inhibition 30.0 % 10.1016/j.bmcl.2010.08.093
Homo sapiens MIA PaCa-2 Inhibition 30.0 % 10.1021/jm900960v
Homo sapiens MIA PaCa-2 Inhibition 56.2 % 10.1016/j.bmc.2012.03.038
Homo sapiens MIA PaCa-2 Inhibition 82.0 % 10.1021/jm701028q
Homo sapiens MIA PaCa-2 Inhibition 90.0 % 10.1021/jm900960v
Homo sapiens MIA PaCa-2 LC50 10.0 nM 10.1021/acs.jmedchem.0c02194
Homo sapiens MIA PaCa-2 LC50 100.0 nM 10.1021/jm3013008
Homo sapiens MIA PaCa-2 LC50 100000.0 nM 10.1016/j.bmc.2012.03.038
Homo sapiens MIA PaCa-2 PC50 200.0 uM 10.1021/np300295h
Homo sapiens MIA PaCa-2 TGI 4.0 % None
Homo sapiens MIA PaCa-2 TGI 85.3 % 10.1021/jm7009777
Homo sapiens MIA PaCa-2 TGI 100.0 nM 10.1021/jm3013008
Homo sapiens MIA PaCa-2 TGI 100000.0 nM 10.1016/j.bmc.2012.03.038
Homo sapiens MIA PaCa-2 TGI nan None 10.1016/j.bmcl.2012.10.009
Homo sapiens MIA PaCa-2 TGI nan None 10.1016/j.bmcl.2013.07.001
Homo sapiens MIA PaCa-2 TIME 144.0 hr None
Homo sapiens MIA PaCa-2 TIME 256.8 hr None
Homo sapiens MIA PaCa-2 TIME 266.4 hr None
Homo sapiens MIA PaCa-2 TIME 314.4 hr None
Homo sapiens MIA PaCa-2 TIME 340.8 hr None
Homo sapiens MIA PaCa-2 TIME 388.8 hr None
Homo sapiens MIA PaCa-2 TIME 468.0 hr None
Homo sapiens MKN-1 IC50 78.37 nM 10.6019/CHEMBL1201861
Homo sapiens MKN-28 IC50 1151.24 nM 10.6019/CHEMBL1201861
Homo sapiens MKN-28 IC50 100000.0 nM 10.1016/j.bmcl.2017.04.086
Homo sapiens MKN-45 IC50 17.73 nM 10.6019/CHEMBL1201861
Homo sapiens MKN-7 IC50 91847.81 nM 10.6019/CHEMBL1201861
Homo sapiens ML-2 IC50 25.74 nM 10.6019/CHEMBL1201861
Homo sapiens MLMA IC50 271.56 nM 10.6019/CHEMBL1201861
Homo sapiens MMAC-SF IC50 1776.6 nM 10.6019/CHEMBL1201861
Homo sapiens MN-60 IC50 2434.57 nM 10.6019/CHEMBL1201861
Homo sapiens Mo IC50 9091.03 nM 10.6019/CHEMBL1201861
Homo sapiens MOLT-16 IC50 43.05 nM 10.6019/CHEMBL1201861
Homo sapiens MOLT-4 IC50 65.28 nM 10.6019/CHEMBL1201861
Homo sapiens MOLT-4 LD50 0.008 uM 10.1021/np401017g
Homo sapiens Monoamine oxidase A AC50 10000.0 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 24.84 nM 10.6019/CHEMBL1201861
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens MPP-89 IC50 692.28 nM 10.6019/CHEMBL1201861
Homo sapiens MRC5 CI 2.06 None 10.1016/j.ejmech.2015.03.064
Homo sapiens MRC5 CI 2.73 None 10.1016/j.ejmech.2015.03.064
Homo sapiens MRC5 CI 7.88 None 10.1016/j.ejmech.2015.03.064
Homo sapiens MRC5 CI 8.15 None 10.1016/j.ejmech.2015.03.064
Homo sapiens MRC5 IC50 3.9 nM 10.1016/j.ejmech.2015.03.064
Homo sapiens MRC5 IC50 6.3 nM 10.1016/j.ejmech.2015.03.064
Homo sapiens MRC5 IC50 6.8 nM 10.1016/j.ejmech.2015.03.064
Homo sapiens MRC5 IC50 21.6 nM 10.1016/j.ejmech.2015.03.064
Homo sapiens MRC5 IC50 35100.0 nM 10.1021/acs.jnatprod.1c00374
Homo sapiens MRC5 IC50 50000.0 nM 10.1021/acs.jmedchem.6b01766
Homo sapiens MRC5 IC50 50000.0 nM 10.1021/acs.jmedchem.8b01258
Homo sapiens MRC5 IC50 80000.0 nM 10.1016/j.bmcl.2021.128094
Homo sapiens MRC5 Inhibition nan % 10.1016/j.ejmech.2015.03.064
Homo sapiens MRK-nu-1 IC50 2.567 nM 10.6019/CHEMBL1201861
Homo sapiens MS-1 IC50 46.34 nM 10.6019/CHEMBL1201861
Homo sapiens MSTO-211H IC50 1152.57 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 10000.0 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 10000.0 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 MV4-11 IC50 0.0004578 nM 10.6019/CHEMBL1201861
Homo sapiens MZ1-PC IC50 254.35 nM 10.6019/CHEMBL1201861
Homo sapiens MZ2-MEL IC50 26.22 nM 10.6019/CHEMBL1201861
Homo sapiens MZ7-mel IC50 42.66 nM 10.6019/CHEMBL1201861
Homo sapiens NAD-dependent deacetylase sirtuin 1 IC50 nan None 10.1016/j.bmcl.2015.05.015
Homo sapiens NALM-6 IC50 0.06223 nM 10.6019/CHEMBL1201861
Homo sapiens NB1 IC50 487.53 nM 10.6019/CHEMBL1201861
Homo sapiens NB10 IC50 24.37 nM 10.6019/CHEMBL1201861
Homo sapiens NB12 IC50 155.15 nM 10.6019/CHEMBL1201861
Homo sapiens NB13 IC50 38.23 nM 10.6019/CHEMBL1201861
Homo sapiens NB5 IC50 1325.85 nM 10.6019/CHEMBL1201861
Homo sapiens NB6 IC50 3281.9 nM 10.6019/CHEMBL1201861
Homo sapiens NB69 IC50 1.046 nM 10.6019/CHEMBL1201861
Homo sapiens NCCIT IC50 176.26 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1092 IC50 7155.35 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1155 IC50 488.28 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1299 IC50 0.1566 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1304 IC50 384.54 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1355 IC50 0.3806 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1395 IC50 174518.02 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1417 IC50 1070.75 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1436 IC50 143923.51 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1437 IC50 9.418 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1522 IC50 6533.36 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1563 IC50 21534.67 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1573 IC50 2807.23 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1581 IC50 1173.72 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1618 IC50 197.56 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1623 IC50 187.08 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1648 IC50 510.81 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1650 IC50 25.4 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1651 IC50 21.11 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1693 IC50 46.09 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1694 IC50 61.29 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1703 IC50 31.78 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1734 IC50 11.29 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1755 IC50 718.16 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1770 IC50 55.04 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1792 IC50 259.04 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1793 IC50 223.63 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1838 IC50 202982.95 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H187 IC50 8852.34 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1882 IC50 82.45 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1963 IC50 6267.13 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1975 IC50 10000.0 nM 10.1016/j.bmc.2017.05.044
Homo sapiens NCI-H1975 IC50 nan None 10.1016/j.ejmech.2015.02.021
Homo sapiens NCI-H1993 IC50 79788.39 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2009 IC50 0.6187 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2030 IC50 30.45 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2052 IC50 144.82 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2081 IC50 310.77 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2087 IC50 2.143 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H209 IC50 52.07 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2122 IC50 0.09455 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2126 IC50 1157.99 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2141 IC50 644.04 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2170 IC50 11.97 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2171 IC50 3765.35 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2196 IC50 2310.34 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2227 IC50 31281.35 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2228 IC50 0.314 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H226 IC50 316.96 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H23 GI50 2.0 nM 10.1021/jm901428k
Homo sapiens NCI-H23 IC50 211.06 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2342 IC50 7.634 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2347 IC50 792.01 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2405 IC50 19.1 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2452 IC50 7634.56 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H28 IC50 1214.9 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H292 IC50 20.79 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H322M IC50 81371.9 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H345 IC50 109326.08 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H358 IC50 7.16 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H441 IC50 5.597 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H446 IC50 269.11 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H460 Activity 68.0 % 10.1016/j.bmc.2009.12.077
Homo sapiens NCI-H460 Activity 71.0 % 10.1021/acsmedchemlett.7b00545
Homo sapiens NCI-H460 Activity 73.0 % 10.1016/j.bmcl.2012.04.008
Homo sapiens NCI-H460 GI 68.0 % 10.1016/j.bmc.2009.11.066
Homo sapiens NCI-H460 GI 81.0 % 10.1016/j.bmcl.2012.01.089
Homo sapiens NCI-H460 GI50 2.085 nM 10.1021/acs.jmedchem.7b01490
Homo sapiens NCI-H460 IC50 7.8 nM 10.1021/jm010974h
Homo sapiens NCI-H460 IC50 10.0 nM 10.1021/jm070269u
Homo sapiens NCI-H460 IC50 13.54 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H460 IC50 103.0 nM 10.1021/jm070269u
Homo sapiens NCI-H460 IC50 230.0 nM 10.1016/j.bmcl.2012.01.089
Homo sapiens NCI-H510A IC50 33.27 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H520 IC50 18.77 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H522 IC50 4.337 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H524 IC50 15376.94 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H526 IC50 109.88 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H596 IC50 225.13 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H64 IC50 150.93 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H650 IC50 565.69 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H661 IC50 104.02 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H69 IC50 459.48 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H716 IC50 98526.54 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H719 IC50 891.57 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H720 IC50 46750.32 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H727 IC50 2.506 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H747 IC50 42.28 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H748 IC50 354.58 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H810 IC50 8.558 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H82 IC50 372.97 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H838 IC50 498.75 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H889 IC50 7570.24 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-N87 IC50 333.04 nM 10.6019/CHEMBL1201861
Homo sapiens NEC8 IC50 35.37 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 Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 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 NH-12 IC50 25.5 nM 10.6019/CHEMBL1201861
Homo sapiens NHDF Activity 3.0 % 10.1038/nchembio.90
Homo sapiens NHDF IC50 20.0 nM 10.1021/jm100504d
Homo sapiens NHDF IC50 22.1 nM 10.1038/nchembio.90
Homo sapiens NHDF IC50 19450.0 nM 10.1016/j.bmcl.2019.08.003
Homo sapiens NKM-1 IC50 0.00709 nM 10.6019/CHEMBL1201861
Homo sapiens NMC-G1 IC50 8.762 nM 10.6019/CHEMBL1201861
Homo sapiens no-10 IC50 173.76 nM 10.6019/CHEMBL1201861
Homo sapiens no-11 IC50 736.68 nM 10.6019/CHEMBL1201861
Homo sapiens NOMO-1 IC50 28.68 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 32.44 nM 10.6019/CHEMBL1201861
Homo sapiens NTERA-2-cl-D1 IC50 1.641 nM 10.6019/CHEMBL1201861
Homo sapiens NUGC-3 IC50 18.34 nM 10.6019/CHEMBL1201861
Homo sapiens NY IC50 30.18 nM 10.6019/CHEMBL1201861
Homo sapiens OAW-28 IC50 45.36 nM 10.6019/CHEMBL1201861
Homo sapiens OAW-42 IC50 92.14 nM 10.6019/CHEMBL1201861
Homo sapiens OCI-AML2 IC50 0.1466 nM 10.6019/CHEMBL1201861
Homo sapiens OCUB-M IC50 10.03 nM 10.6019/CHEMBL1201861
Homo sapiens OE19 IC50 702.16 nM 10.6019/CHEMBL1201861
Homo sapiens OE33 IC50 61.17 nM 10.6019/CHEMBL1201861
Homo sapiens OMC-1 IC50 583.33 nM 10.6019/CHEMBL1201861
Homo sapiens ONS-76 IC50 8.677 nM 10.6019/CHEMBL1201861
Homo sapiens OPM-2 IC50 17633.65 nM 10.6019/CHEMBL1201861
Homo sapiens OS-RC-2 IC50 6.681 nM 10.6019/CHEMBL1201861
Homo sapiens OVCAR-3 IC50 1073.9 nM 10.6019/CHEMBL1201861
Homo sapiens OVCAR-4 IC50 625.23 nM 10.6019/CHEMBL1201861
Homo sapiens OVCAR-5 IC50 305.77 nM 10.6019/CHEMBL1201861
Homo sapiens OVCAR-5 TGI nan None 10.1021/acs.jmedchem.8b00743
Homo sapiens OVCAR-8 Activity 3.0 % 10.1038/nchembio.90
Homo sapiens OVCAR-8 IC50 2.6 nM 10.1038/nchembio.90
Homo sapiens OVCAR-8 IC50 3.0 nM 10.1021/jm100504d
Homo sapiens OVCAR-8 IC50 7.904 nM 10.6019/CHEMBL1201861
Homo sapiens P12-Ichikawa IC50 84.7 nM 10.6019/CHEMBL1201861
Homo sapiens P30-OHK IC50 1.459 nM 10.6019/CHEMBL1201861
Homo sapiens P31-FUJ IC50 64480.38 nM 10.6019/CHEMBL1201861
Homo sapiens PA-1 IC50 8.993 nM 10.6019/CHEMBL1201861
Homo sapiens PANC-03-27 IC50 3.513 nM 10.6019/CHEMBL1201861
Homo sapiens PANC-08-13 IC50 1396.13 nM 10.6019/CHEMBL1201861
Homo sapiens PANC-1 Activity 1.4 % 10.1016/j.ejmech.2018.03.078
Homo sapiens PANC-1 Activity 43.0 % 10.1021/acs.jmedchem.0c00545
Homo sapiens PANC-1 Activity 71.0 % 10.1016/j.bmc.2009.12.077
Homo sapiens PANC-1 Activity 74.0 % 10.1021/acsmedchemlett.7b00545
Homo sapiens PANC-1 Activity 79.0 % 10.1016/j.bmcl.2012.04.008
Homo sapiens PANC-1 Activity nan None 10.1016/j.bmcl.2017.04.087
Homo sapiens PANC-1 Activity nan None 10.1016/j.ejmech.2019.03.013
Homo sapiens PANC-1 Activity nan None 10.1021/acs.jmedchem.9b00059
Homo sapiens PANC-1 Activity nan None 10.1021/acs.jnatprod.9b00875
Homo sapiens PANC-1 Activity nan None 10.1021/np300295h
Homo sapiens PANC-1 GI 31.0 % None
Homo sapiens PANC-1 GI 54.0 % None
Homo sapiens PANC-1 GI 71.0 % 10.1016/j.bmc.2009.11.066
Homo sapiens PANC-1 GI 78.0 % 10.1007/s00044-011-9834-7
Homo sapiens PANC-1 GI 83.0 % 10.1016/j.bmcl.2012.01.089
Homo sapiens PANC-1 GI50 5800.0 nM 10.1016/j.bmcl.2017.04.087
Homo sapiens PANC-1 IC50 22.0 nM 10.1016/j.ejmech.2020.112599
Homo sapiens PANC-1 IC50 110.0 nM 10.1016/j.bmcl.2012.01.089
Homo sapiens PANC-1 IC50 150.0 nM 10.1016/j.ejmech.2020.112088
Homo sapiens PANC-1 IC50 160.0 nM 10.1021/acs.jmedchem.9b00059
Homo sapiens PANC-1 IC50 200.0 nM 10.1021/acs.jmedchem.1c02207
Homo sapiens PANC-1 IC50 400.0 nM 10.1016/j.ejmech.2018.03.078
Homo sapiens PANC-1 IC50 1340.0 nM 10.1016/j.bmcl.2022.128881
Homo sapiens PANC-1 IC50 1700.0 nM 10.1016/j.ejmech.2018.03.078
Homo sapiens PANC-1 IC50 4200.0 nM 10.1016/j.bmcl.2021.128094
Homo sapiens PANC-1 IC50 5600.0 nM 10.1016/j.bmcl.2009.03.092
Homo sapiens PANC-1 IC50 5900.0 nM 10.1021/acs.jnatprod.9b00875
Homo sapiens PANC-1 IC50 8300.0 nM 10.1021/acs.jnatprod.1c01118
Homo sapiens PANC-1 IC50 10988.0 nM 10.1016/j.ejmech.2019.03.024
Homo sapiens PANC-1 IC50 30000.0 nM 10.1021/acs.jnatprod.1c00374
Homo sapiens PANC-1 IC50 30400.0 nM 10.1016/j.bmc.2017.05.044
Homo sapiens PANC-1 IC50 50000.0 nM 10.1016/j.bmcl.2013.02.061
Homo sapiens PANC-1 IC50 100000.0 nM 10.1016/j.bmc.2022.116963
Homo sapiens PANC-1 IC50 500000.0 nM 10.1016/j.bmcl.2020.127544
Homo sapiens PANC-1 PC50 100.0 uM 10.1016/j.bmc.2022.116963
Homo sapiens PANC-1 PC50 200.0 uM 10.1021/np300295h
Homo sapiens PANC-1 PC50 200.0 uM 10.1021/np300596c
Homo sapiens PANC-1 Ratio IC50 0.24 None 10.1016/j.ejmech.2018.03.078
Homo sapiens PANC-1 Survival 60.0 % 10.1021/acs.jmedchem.9b00059
Homo sapiens PANC-1 TGI 55.0 % 10.1016/j.ejmech.2018.03.078
Homo sapiens Panc1005 IC50 15.38 nM 10.6019/CHEMBL1201861
Homo sapiens PC-14 IC50 203.31 nM 10.6019/CHEMBL1201861
Homo sapiens PC-3 Activity 3.0 % 10.1038/nchembio.90
Homo sapiens PC-3 GI50 6.0 nM 10.1021/jm901428k
Homo sapiens PC-3 IC50 2.6 nM 10.1038/nchembio.90
Homo sapiens PC-3 IC50 3.0 nM 10.1021/jm100504d
Homo sapiens PC-3 IC50 40.0 nM 10.1021/jm900852b
Homo sapiens PC-3 IC50 74.0 nM 10.1039/c9md00489k
Homo sapiens PC-3 IC50 220.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens PC-3 IC50 416.0 nM 10.1016/j.ejmech.2019.01.041
Homo sapiens PC-3 IC50 546.0 nM 10.1016/j.ejmech.2020.113018
Homo sapiens PC-3 IC50 2831.63 nM 10.6019/CHEMBL1201861
Homo sapiens PC-3 IC50 nan None 10.1021/jm2005173
Homo sapiens PF-382 IC50 44.22 nM 10.6019/CHEMBL1201861
Homo sapiens PFSK-1 IC50 1647.94 nM 10.6019/CHEMBL1201861
Homo sapiens P-glycoprotein 1 Activity nan None 10.1038/sj.bjc.6601011
Homo sapiens Phosphodiesterase 3A AC50 10999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 16000.0 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 Activity 18.0 % 10.1016/j.bmc.2016.09.033
Homo sapiens PLC-PRF-5 Activity 25.0 % 10.1016/j.bmc.2016.09.033
Homo sapiens PLC-PRF-5 IC50 1530.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens PLC-PRF-5 IC50 22881.25 nM 10.6019/CHEMBL1201861
Homo sapiens PLC-PRF-5 T/C 54.0 % 10.1016/j.bmc.2016.09.033
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 PSN1 Activity nan None 10.1021/np300295h
Homo sapiens PSN1 IC50 0.01652 nM 10.6019/CHEMBL1201861
Homo sapiens PSN1 IC50 5.0 nM 10.1016/j.ejmech.2020.112670
Homo sapiens PSN1 PC50 200.0 uM 10.1021/np300295h
Homo sapiens QIMR-WIL IC50 0.008942 nM 10.6019/CHEMBL1201861
Homo sapiens Raji IC50 431.45 nM 10.6019/CHEMBL1201861
Homo sapiens Ramos EC50 0.03 nM 10.1016/j.bmcl.2016.03.076
Homo sapiens Ramos IC50 10000.0 nM 10.1016/j.bmc.2017.05.044
Homo sapiens Ramos-2G6-4C10 IC50 660.87 nM 10.6019/CHEMBL1201861
Homo sapiens RCC10RGB IC50 633.74 nM 10.6019/CHEMBL1201861
Homo sapiens RCM-1 IC50 664.78 nM 10.6019/CHEMBL1201861
Homo sapiens RD IC50 130.11 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 14.51 nM 10.6019/CHEMBL1201861
Homo sapiens RERF-LC-MS IC50 176.69 nM 10.6019/CHEMBL1201861
Homo sapiens RH-1 IC50 0.007176 nM 10.6019/CHEMBL1201861
Homo sapiens Ribonucleoside-diphosphate reductase M1 chain Inhibition nan % 10.1016/j.bmc.2014.02.007
Homo sapiens RKO IC50 0.02785 nM 10.6019/CHEMBL1201861
Homo sapiens RL IC50 147137.28 nM 10.6019/CHEMBL1201861
Homo sapiens RMG-I IC50 42900.87 nM 10.6019/CHEMBL1201861
Homo sapiens RO82-W-1 IC50 4423.56 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI-2650 IC50 17.59 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI-6666 IC50 0.06524 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI-7951 IC50 0.05413 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI-8226 IC50 16.02 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI 8402 IC50 45.93 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI-8866 IC50 95.23 nM 10.6019/CHEMBL1201861
Homo sapiens RS4-11 IC50 0.4326 nM 10.6019/CHEMBL1201861
Homo sapiens RT-112 IC50 0.1273 nM 10.6019/CHEMBL1201861
Homo sapiens RT-112 Ratio EC50 75.0 None 10.1021/jm401853a
Homo sapiens RT-4 IC50 13842.78 nM 10.6019/CHEMBL1201861
Homo sapiens RVH-421 IC50 4115.59 nM 10.6019/CHEMBL1201861
Homo sapiens RXF 393 IC50 1143.2 nM 10.6019/CHEMBL1201861
Homo sapiens S-117 IC50 6303.27 nM 10.6019/CHEMBL1201861
Homo sapiens SAOS-2 IC50 26765.05 nM 10.6019/CHEMBL1201861
Homo sapiens SAS IC50 20.5 nM 10.6019/CHEMBL1201861
Homo sapiens SBC-1 IC50 165.57 nM 10.6019/CHEMBL1201861
Homo sapiens SBC-5 IC50 0.005701 nM 10.6019/CHEMBL1201861
Homo sapiens SCC-15 IC50 121.13 nM 10.6019/CHEMBL1201861
Homo sapiens SCC-25 IC50 47.0 nM 10.1021/jm020571x
Homo sapiens SCC-25 IC50 289.28 nM 10.6019/CHEMBL1201861
Homo sapiens SCC-3 IC50 89.64 nM 10.6019/CHEMBL1201861
Homo sapiens SCC-4 IC50 211.85 nM 10.6019/CHEMBL1201861
Homo sapiens SCC-9 IC50 65392.27 nM 10.6019/CHEMBL1201861
Homo sapiens SCH IC50 197019.95 nM 10.6019/CHEMBL1201861
Homo sapiens SCLC-21H IC50 2774.14 nM 10.6019/CHEMBL1201861
Homo sapiens Serine/threonine-protein kinase Chk1 Activity nan None 10.1021/acs.jmedchem.1c00994
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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 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 10000.0 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 Serum Stability nan % 10.1021/jm401586a
Homo sapiens SF-126 IC50 7.054 nM 10.6019/CHEMBL1201861
Homo sapiens SF-268 Activity 3.0 % 10.1038/nchembio.90
Homo sapiens SF-268 IC50 0.9274 nM 10.6019/CHEMBL1201861
Homo sapiens SF-268 IC50 10.0 nM 10.1021/jm100504d
Homo sapiens SF-268 IC50 10.3 nM 10.1038/nchembio.90
Homo sapiens SF-295 IC50 51.12 nM 10.6019/CHEMBL1201861
Homo sapiens SF-539 Activity 3.0 % 10.1038/nchembio.90
Homo sapiens SF-539 IC50 1.023 nM 10.6019/CHEMBL1201861
Homo sapiens SF-539 IC50 19.8 nM 10.1038/nchembio.90
Homo sapiens SF-539 IC50 20.0 nM 10.1021/jm100504d
Homo sapiens SGC-7901 IC50 9320.0 nM 10.1016/j.bmcl.2022.128881
Homo sapiens SH-4 IC50 9.022 nM 10.6019/CHEMBL1201861
Homo sapiens SHP77 IC50 6854.63 nM 10.6019/CHEMBL1201861
Homo sapiens SIG-M5 IC50 0.01042 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 Activity nan None 10.1021/acs.jmedchem.7b00563
Homo sapiens SiHa IC50 90212.14 nM 10.6019/CHEMBL1201861
Homo sapiens SIMA IC50 161.25 nM 10.6019/CHEMBL1201861
Homo sapiens SJRH30 IC50 106.41 nM 10.6019/CHEMBL1201861
Homo sapiens SJSA-1 IC50 195.01 nM 10.6019/CHEMBL1201861
Homo sapiens SK-CO-1 IC50 34.01 nM 10.6019/CHEMBL1201861
Homo sapiens SKG-IIIa IC50 809.72 nM 10.6019/CHEMBL1201861
Homo sapiens SK-HEP1 IC50 6.136 nM 10.6019/CHEMBL1201861
Homo sapiens SK-LMS-1 IC50 0.5776 nM 10.6019/CHEMBL1201861
Homo sapiens SK-LU-1 IC50 0.6552 nM 10.6019/CHEMBL1201861
Homo sapiens SK-LU-1 IC50 55.0 nM 10.1021/jm020571x
Homo sapiens SK-MEL-1 IC50 20608.32 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL-2 IC50 7110.0 nM 10.1021/jm2005173
Homo sapiens SK-MEL-2 IC50 7130.94 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL-24 IC50 43429.37 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL-28 IC50 85840.16 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL3 IC50 105.1 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL-30 IC50 0.5545 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MES-1 IC50 0.3279 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MM-2 IC50 479.12 nM 10.6019/CHEMBL1201861
Homo sapiens SK-N-AS IC50 1100.0 nM 10.1021/jm2005173
Homo sapiens SK-N-AS IC50 2967.58 nM 10.6019/CHEMBL1201861
Homo sapiens SK-N-DZ IC50 86.56 nM 10.6019/CHEMBL1201861
Homo sapiens SK-NEP-1 IC50 22.93 nM 10.6019/CHEMBL1201861
Homo sapiens SK-N-FI IC50 25142.94 nM 10.6019/CHEMBL1201861
Homo sapiens SK-OV-3 IC50 38.74 nM 10.6019/CHEMBL1201861
Homo sapiens SK-OV-3 IC50 440.0 nM 10.1016/j.bmcl.2022.128881
Homo sapiens SK-OV-3 IC50 10000.0 nM 10.1021/jm2005173
Homo sapiens SK-PN-DW IC50 0.2656 nM 10.6019/CHEMBL1201861
Homo sapiens SK-UT-1 IC50 0.02969 nM 10.6019/CHEMBL1201861
Homo sapiens SMMC-7721 IC50 1400.0 nM 10.1016/j.bmc.2021.115999
Homo sapiens SMMC-7721 Inhibition 38.5 % 10.1016/j.bmc.2021.115999
Homo sapiens SMMC-7721 Inhibition 61.5 % 10.1016/j.bmc.2021.115999
Homo sapiens SN12C IC50 497.34 nM 10.6019/CHEMBL1201861
Homo sapiens SNB-75 IC50 37.24 nM 10.6019/CHEMBL1201861
Homo sapiens SNG-M IC50 0.04247 nM 10.6019/CHEMBL1201861
Homo sapiens SNU1 IC50 0.01596 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-16 IC50 152244.99 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-387 IC50 827.44 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-423 IC50 62.48 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-449 IC50 13.77 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-475 IC50 44500.17 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-5 IC50 12.13 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-638 IC50 nan None 10.1021/jm900852b
Homo sapiens SNU-C1 IC50 77705.03 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-C2B IC50 1547.77 nM 10.6019/CHEMBL1201861
Homo sapiens Solute carrier family 22 member 5 Drug transport nan None 10.1021/acs.jmedchem.7b00049
Homo sapiens Solute carrier organic anion transporter family member 1B3 Activity 11.1 % 10.1016/j.ejmech.2015.01.011
Homo sapiens SR IC50 2.121 nM 10.6019/CHEMBL1201861
Homo sapiens ST486 IC50 9.406 nM 10.6019/CHEMBL1201861
Homo sapiens SU-DHL-1 IC50 62.66 nM 10.6019/CHEMBL1201861
Homo sapiens SUP-T1 IC50 23.47 nM 10.6019/CHEMBL1201861
Homo sapiens SW1088 IC50 1661.67 nM 10.6019/CHEMBL1201861
Homo sapiens SW13 IC50 330.37 nM 10.6019/CHEMBL1201861
Homo sapiens SW1417 IC50 8634.34 nM 10.6019/CHEMBL1201861
Homo sapiens SW1463 IC50 510.17 nM 10.6019/CHEMBL1201861
Homo sapiens SW1573 IC50 16.0 nM 10.1021/jm070269u
Homo sapiens SW1573 IC50 275.0 nM 10.1021/jm070269u
Homo sapiens SW1573 IC50 457.33 nM 10.6019/CHEMBL1201861
Homo sapiens SW1573 IC50 8300.0 nM 10.1021/jm0612923
Homo sapiens SW1710 IC50 0.07513 nM 10.6019/CHEMBL1201861
Homo sapiens SW1783 IC50 0.03355 nM 10.6019/CHEMBL1201861
Homo sapiens SW1990 IC50 113.07 nM 10.6019/CHEMBL1201861
Homo sapiens SW1990 IC50 1200.0 nM 10.1016/j.bmcl.2009.03.092
Homo sapiens SW1990 IC50 1600.0 nM 10.1021/np400614f
Homo sapiens SW1990 IC50 2200.0 nM 10.1021/np500382k
Homo sapiens SW1990 IC50 2300.0 nM 10.1021/acs.jnatprod.6b00910
Homo sapiens SW1990 IC50 25400.0 nM 10.1021/acs.jnatprod.1c00374
Homo sapiens SW1990 IC50 40190.0 nM 10.1016/j.ejmech.2021.113999
Homo sapiens SW48 IC50 462.59 nM 10.6019/CHEMBL1201861
Homo sapiens SW480 Activity 3.0 % 10.1038/nchembio.90
Homo sapiens SW480 IC50 13.6 nM 10.1038/nchembio.90
Homo sapiens SW480 IC50 1700.0 nM 10.1021/jm100504d
Homo sapiens SW-620 Activity nan None 10.1039/C5MD00158G
Homo sapiens SW-620 GI50 0.84 nM 10.1021/acs.jmedchem.7b01490
Homo sapiens SW-620 IC50 1.346 nM 10.6019/CHEMBL1201861
Homo sapiens SW-620 TIME 38.4 hr 10.1021/jm3012933
Homo sapiens SW626 IC50 4.464 nM 10.6019/CHEMBL1201861
Homo sapiens SW684 IC50 87791.09 nM 10.6019/CHEMBL1201861
Homo sapiens SW756 IC50 45.14 nM 10.6019/CHEMBL1201861
Homo sapiens SW780 IC50 128048.74 nM 10.6019/CHEMBL1201861
Homo sapiens SW837 IC50 27.62 nM 10.6019/CHEMBL1201861
Homo sapiens SW872 IC50 0.7647 nM 10.6019/CHEMBL1201861
Homo sapiens SW948 IC50 20497.5 nM 10.6019/CHEMBL1201861
Homo sapiens SW 954 IC50 23.68 nM 10.6019/CHEMBL1201861
Homo sapiens SW 962 IC50 52.41 nM 10.6019/CHEMBL1201861
Homo sapiens SW982 IC50 0.2133 nM 10.6019/CHEMBL1201861
Homo sapiens T-24 Activity 3.92 % 10.1016/j.ejmech.2020.112661
Homo sapiens T-24 Activity 4.18 % 10.1016/j.ejmech.2020.112661
Homo sapiens T-24 Activity 5.25 % 10.1016/j.ejmech.2020.112661
Homo sapiens T-24 Activity 5.36 % 10.1016/j.ejmech.2020.112661
Homo sapiens T-24 Activity 6.21 % 10.1016/j.ejmech.2020.112661
Homo sapiens T-24 Activity 7.95 % 10.1016/j.ejmech.2020.112661
Homo sapiens T-24 Activity nan None 10.1016/j.ejmech.2020.112661
Homo sapiens T-24 IC50 2076.29 nM 10.6019/CHEMBL1201861
Homo sapiens T-24 IC50 10150.0 nM 10.1016/j.ejmech.2020.112661
Homo sapiens T-24 IC50 10150.0 nM 10.1039/d1md00306b
Homo sapiens T47D Activity nan None 10.1016/j.ejmech.2019.111990
Homo sapiens T47D IC50 7000.94 nM 10.6019/CHEMBL1201861
Homo sapiens T47D IC50 nan None 10.1021/jm900852b
Homo sapiens T84 IC50 15.96 nM 10.6019/CHEMBL1201861
Homo sapiens T98G IC50 539.48 nM 10.6019/CHEMBL1201861
Homo sapiens TALL-1 IC50 7000.01 nM 10.6019/CHEMBL1201861
Homo sapiens TCC-SUP IC50 1167.85 nM 10.6019/CHEMBL1201861
Homo sapiens TE-1 IC50 5867.41 nM 10.6019/CHEMBL1201861
Homo sapiens TE-10 IC50 16.21 nM 10.6019/CHEMBL1201861
Homo sapiens TE-11 IC50 4099.97 nM 10.6019/CHEMBL1201861
Homo sapiens TE-12 IC50 1173.66 nM 10.6019/CHEMBL1201861
Homo sapiens TE-15 IC50 0.04637 nM 10.6019/CHEMBL1201861
Homo sapiens TE-441-T IC50 6550.1 nM 10.6019/CHEMBL1201861
Homo sapiens TE-5 IC50 0.3157 nM 10.6019/CHEMBL1201861
Homo sapiens TE-6 IC50 250.35 nM 10.6019/CHEMBL1201861
Homo sapiens TE-8 IC50 8.001 nM 10.6019/CHEMBL1201861
Homo sapiens TE-9 IC50 189.63 nM 10.6019/CHEMBL1201861
Homo sapiens TGBC1TKB IC50 6517.12 nM 10.6019/CHEMBL1201861
Homo sapiens TGBC24TKB IC50 1041.83 nM 10.6019/CHEMBL1201861
Homo sapiens TGW IC50 199.64 nM 10.6019/CHEMBL1201861
Homo sapiens THP-1 IC50 664.2 nM 10.6019/CHEMBL1201861
Homo sapiens THP-1 Ratio IC50 0.5 None None
Homo sapiens THP-1 Ratio IC50 1.0 None None
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 IC50 14.49 nM 10.6019/CHEMBL1201861
Homo sapiens TT IC50 49845.94 nM 10.6019/CHEMBL1201861
Homo sapiens TUR IC50 32.03 nM 10.6019/CHEMBL1201861
Homo sapiens TYK-nu IC50 72.64 nM 10.6019/CHEMBL1201861
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 U-118-MG IC50 1351.59 nM 10.6019/CHEMBL1201861
Homo sapiens U-251 IC50 22.27 nM 10.6019/CHEMBL1201861
Homo sapiens U-266 IC50 220.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens U-266 IC50 607.94 nM 10.6019/CHEMBL1201861
Homo sapiens U2OS Activity 3.0 % 10.1038/nchembio.90
Homo sapiens U2OS IC50 90.7 nM 10.1038/nchembio.90
Homo sapiens U2OS IC50 180.0 nM 10.1021/acs.jmedchem.6b01766
Homo sapiens U2OS IC50 180.0 nM 10.1021/acs.jmedchem.8b01258
Homo sapiens U2OS IC50 180.0 nM 10.1021/jm100504d
Homo sapiens U2OS IC50 180.0 nM 10.1039/C7MD00319F
Homo sapiens U2OS IC50 111698.02 nM 10.6019/CHEMBL1201861
Homo sapiens U373 MG IC50 130.0 nM 10.1021/jm020571x
Homo sapiens U-698-M IC50 344.53 nM 10.6019/CHEMBL1201861
Homo sapiens U-87 MG Activity nan None 10.1021/acs.jmedchem.9b01147
Homo sapiens U-87 MG IC50 8.2 nM 10.1021/acs.jmedchem.9b01147
Homo sapiens U-87 MG IC50 190.57 nM 10.6019/CHEMBL1201861
Homo sapiens U-87 MG IC50 5210.0 nM 10.1016/j.bmcl.2019.08.003
Homo sapiens U-937 IC50 70.0 nM 10.1016/j.bmc.2016.09.033
Homo sapiens UACC-257 IC50 364.12 nM 10.6019/CHEMBL1201861
Homo sapiens UACC-62 IC50 812.6 nM 10.6019/CHEMBL1201861
Homo sapiens UACC-812 IC50 13368.74 nM 10.6019/CHEMBL1201861
Homo sapiens UACC-893 IC50 6552.03 nM 10.6019/CHEMBL1201861
Homo sapiens UMC-11 IC50 8359.39 nM 10.6019/CHEMBL1201861
Homo sapiens UMSCC1 Activity 60.15 % None
Homo sapiens UMSCC1 Activity 60.75 % None
Homo sapiens UMSCC1 Activity 73.5 % None
Homo sapiens UMSCC1 Activity 74.03 % None
Homo sapiens UMSCC1 Activity nan None None
Homo sapiens UMSCC1 GI nan None None
Homo sapiens UMSCC1 TIME 336.0 hr None
Homo sapiens UMSCC1 TIME 480.0 hr None
Homo sapiens UMUC3 IC50 16.16 nM 10.6019/CHEMBL1201861
Homo sapiens UO-31 IC50 0.5647 nM 10.6019/CHEMBL1201861
Homo sapiens VA-ES-BJ IC50 5.256 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 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens VM-CUB-1 IC50 34.69 nM 10.6019/CHEMBL1201861
Homo sapiens VMRC-RCZ IC50 1.542 nM 10.6019/CHEMBL1201861
Homo sapiens WM-115 IC50 88070.62 nM 10.6019/CHEMBL1201861
Homo sapiens WM 266-4 Activity 4.1 % 10.1021/acs.jmedchem.1c01468
Homo sapiens WM 266-4 Activity 5.1 % 10.1021/acs.jmedchem.1c01468
Homo sapiens WM 266-4 Activity 12.4 % 10.1021/acs.jmedchem.1c01468
Homo sapiens WM 266-4 Activity 46.6 % 10.1021/acs.jmedchem.1c01468
Homo sapiens WM 266-4 Activity 78.3 % 10.1021/acs.jmedchem.1c01468
Homo sapiens WM 266-4 IC50 17800.0 nM 10.1021/acs.jmedchem.1c01468
Homo sapiens WSU-NHL IC50 50.35 nM 10.6019/CHEMBL1201861
Homo sapiens YAPC IC50 77094.66 nM 10.6019/CHEMBL1201861
Homo sapiens YKG-1 IC50 0.4194 nM 10.6019/CHEMBL1201861
Homo sapiens YT IC50 1285.59 nM 10.6019/CHEMBL1201861
Human alphaherpesvirus 3 Human alphaherpesvirus 3 EC50 28.0 nM 10.1021/acsmedchemlett.0c00485
Human alphaherpesvirus 3 Human alphaherpesvirus 3 EC50 54.0 nM 10.1021/acsmedchemlett.0c00485
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity 13.0 % 10.1016/j.bmc.2013.08.023
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity 24.0 % 10.1016/j.bmc.2013.08.023
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity nan None 10.1016/j.bmc.2013.08.023
Human immunodeficiency virus 1 Human immunodeficiency virus 1 Activity nan None 10.1016/j.bmc.2016.03.052
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 16.3 nM 10.1021/acsmedchemlett.0c00485
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 27.5 nM 10.1016/j.bmc.2013.08.023
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 53500.0 nM 10.1016/j.bmc.2016.03.052
Human immunodeficiency virus 1 Human immunodeficiency virus 1 FC 2.5 None 10.1016/j.bmc.2016.03.052
Influenza A virus Influenza A virus EC50 68.0 nM 10.1021/acsmedchemlett.0c00485
Middle East respiratory syndrome-related coronavirus Middle East respiratory syndrome-related coronavirus EC50 1200.0 nM 10.1016/j.bmc.2020.115757
Middle East respiratory syndrome-related coronavirus Middle East respiratory syndrome-related coronavirus EC50 1220.0 nM 10.1021/acsmedchemlett.0c00485
Mus musculus 4T1 IC50 7170.0 nM 10.1016/j.bmcl.2022.128881
Mus musculus 4T1 TGI 58.7 % 10.1016/j.bmcl.2022.128881
Mus musculus B16-F10 Activity 12.0 % 10.1039/C7MD00638A
Mus musculus B16-F10 Activity 26.0 % 10.1039/C7MD00638A
Mus musculus B16-F10 Activity nan None 10.1039/C7MD00638A
Mus musculus B16-F10 IC50 260.0 nM 10.1039/C7MD00638A
Mus musculus B16-F10 TGI 36.96 % 10.1039/C7MD00638A
Mus musculus C2D cell line IC50 3.7 nM 10.1016/j.ejmech.2020.112044
Mus musculus C2D cell line IC50 3.7 nM 10.1021/acs.jmedchem.5b01380
Mus musculus C2G cell line IC50 3.7 nM 10.1016/j.ejmech.2020.112044
Mus musculus C2G cell line IC50 3.7 nM 10.1021/acs.jmedchem.5b01380
Mus musculus CT26 IC50 6.0 nM 10.1021/jm2005173
Mus musculus EL4 IC50 7.0 nM 10.1021/jm2005173
Mus musculus H22 GI nan None 10.1016/j.bmc.2016.09.033
Mus musculus L1210 IC50 7.0 nM 10.1021/jm2005173
Mus musculus L1210 IC50 13.0 nM 10.1021/jm401586a
Mus musculus L1210 IC50 13.0 nM 10.1021/jm401853a
Mus musculus Mus musculus Activity 5.0 % 10.1021/acs.jmedchem.7b00563
Mus musculus Mus musculus Activity 28.65 g 10.1039/C7MD00638A
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2018.08.009
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2016.10.008
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.7b01463
Mus musculus Mus musculus Activity nan None 10.1021/jm3012933
Mus musculus Mus musculus Activity nan None 10.1021/jm401853a
Mus musculus Mus musculus Activity nan None None
Mus musculus Mus musculus Log kill 0.7 None 10.1021/jm0005149
Mus musculus Mus musculus Log kill 2.8 None 10.1021/jm0005149
Mus musculus Mus musculus Log kill 5.0 None 10.1021/jm0005149
Mus musculus Mus musculus NA nan None 10.1021/jm0005149
Mus musculus Mus musculus Survival 42.0 day 10.1021/jm701028q
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mus musculus Panc02 TGI 70.0 % 10.1016/j.bmc.2020.115857
Mus musculus RAW264.7 LD50 0.005 uM 10.1021/np401017g
Mus musculus TRAMP-C1A IC50 3.7 nM 10.1016/j.ejmech.2020.112044
Mus musculus TRAMP-C1A IC50 3.7 nM 10.1021/acs.jmedchem.5b01380
Mus musculus TRAMP-C2H IC50 3.7 nM 10.1016/j.ejmech.2020.112044
Mus musculus TRAMP-C2H IC50 3.7 nM 10.1021/acs.jmedchem.5b01380
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
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 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 Blood Drug uptake 199.0 ng/ml 10.1021/acs.jmedchem.7b00049
Rattus norvegicus C6 IC50 504.0 nM 10.1021/jm2005173
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 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 MAT-Ly-Lu IC50 nan None 10.1021/jm2005173
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 35000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 40300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 152.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 332.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 368.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 373.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 34.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 46.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 46.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 55.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 100.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 110.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 127.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 232.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AUC 5617800.0 ng.hr.mL-1 10.1021/acs.jmedchem.7b00049
Rattus norvegicus Rattus norvegicus AUC 26692900.0 ng.hr.mL-1 10.1021/acs.jmedchem.7b00049
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 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 133.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 156.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 166.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 366.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 97.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 104.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 107.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 107.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 633.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 706.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 766.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 1046.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 316.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 350.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 485.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 2721.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Cmax 5028875.38 nM 10.1021/acs.jmedchem.7b00049
Rattus norvegicus Rattus norvegicus Cmax 27009878.42 nM 10.1021/acs.jmedchem.7b00049
Rattus norvegicus Rattus norvegicus CO2 24330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 24670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.4 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 12.67 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 F 3.2 % 10.1021/acs.jmedchem.7b00049
Rattus norvegicus Rattus norvegicus GLUC 1430.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1516.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1753.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 2863.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 31.87 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 32.1 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.27 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 50.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 127300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 128300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 130300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 194000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 80.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 93.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 141.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 384.67 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 10.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 2696.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 4224.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 4311.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 7048.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 93.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 95.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 97.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 99.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.0 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.07 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.2 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.37 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 389000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 392000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 399700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 61.67 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.1 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.43 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.93 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 10.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 19.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 21.67 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 NEUTLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 1.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 4.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 6.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 23.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 47.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 200.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 484.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 97.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 109.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 110.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 120.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 374330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 699670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 706670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1190670.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 4.87 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 5.2 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.21 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.4 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 49700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5030000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5090000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5190000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 8100000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.33 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 141.6 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.67 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.57 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 146.9 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus T1/2 2.3 hr 10.1021/acs.jmedchem.7b00049
Rattus norvegicus Rattus norvegicus T1/2 4.4 hr 10.1021/acs.jmedchem.7b00049
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tmax 0.5 hr 10.1021/acs.jmedchem.7b00049
Rattus norvegicus Rattus norvegicus Tmax 1.7 hr 10.1021/acs.jmedchem.7b00049
Rattus norvegicus Rattus norvegicus URATE 13.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 16.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 16.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 2770.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 4270.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 4530.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 7530.0 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 Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
rhinovirus A1B rhinovirus A1B EC50 810.0 nM 10.1021/acsmedchemlett.0c00485
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 20.53 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 EC50 1.6 nM 10.1021/acsmedchemlett.0c00485
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 EC50 3.2 nM 10.1021/acsmedchemlett.0c00485
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 EC50 1240.0 nM 10.1021/acsmedchemlett.0c00485
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 0.22 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 101.43 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.2208 None 10.1101/2020.04.03.023846
Severe acute respiratory syndrome-related coronavirus SARS-CoV EC50 4900.0 nM 10.1016/j.bmc.2020.115757
Severe acute respiratory syndrome-related coronavirus SARS-CoV EC50 4950.0 nM 10.1021/acsmedchemlett.0c00485
Staphylococcus aureus Deoxyadenosine kinase Kcat 0.19 /s 10.1128/aac.00081-07
Staphylococcus aureus Deoxyadenosine kinase Kcat/Km 9.81 10'2/M/s 10.1128/aac.00081-07
Staphylococcus aureus Deoxyadenosine kinase Km 192000.0 nM 10.1128/aac.00081-07
Staphylococcus aureus Deoxyadenosine kinase Vmax 0.43 U/mg 10.1128/aac.00081-07
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1128/aac.00081-07
Staphylococcus aureus Staphylococcus aureus MIC 0.002 ug.mL-1 10.1021/acs.jmedchem.6b00325
Staphylococcus aureus Staphylococcus aureus MIC 100.0 nM 10.1128/aac.00081-07
Streptococcus pyogenes Streptococcus pyogenes Activity 83.0 % 10.1128/aac.00081-07
Streptococcus pyogenes Streptococcus pyogenes Activity nan None 10.1128/aac.00081-07
Streptococcus pyogenes Streptococcus pyogenes MIC 100.0 nM 10.1128/aac.00081-07
Streptococcus sp. Streptococcus sp. MIC 10.0 nM 10.1128/aac.00081-07
Streptococcus sp. Streptococcus sp. MIC 31.6 nM 10.1128/aac.00081-07
Streptococcus sp. Streptococcus sp. MIC 100.0 nM 10.1128/aac.00081-07
Zika virus Zika virus EC50 10.0 nM 10.1021/acsmedchemlett.0c00485
None ADMET Activity 27.4 g None
None ADMET Activity 30.6 g None
None ADMET Activity 31.4 g None
None ADMET Activity nan None 10.1016/j.bmc.2016.03.052
None ADMET Activity nan None 10.1016/j.bmc.2020.115857
None ADMET Activity nan None 10.1016/j.ejmech.2019.03.013
None ADMET Activity nan None 10.1016/j.ejmech.2021.113826
None ADMET Activity nan None 10.1021/acs.jmedchem.9b00059
None ADMET Activity nan None 10.1021/acs.jmedchem.9b01147
None ADMET Activity nan None 10.1021/np300295h
None ADMET CC50 100.0 nM 10.1016/j.bmcl.2010.06.025
None ADMET CC50 62000.0 nM 10.1016/j.bmc.2013.08.023
None ADMET CC50 284000.0 nM 10.1016/j.bmc.2016.03.052
None ADMET CL 32.0 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET CL 402800.0 mL.min-1.g-1 10.1124/dmd.112.048769
None ADMET CL 477100.0 mL.min-1.g-1 10.1124/dmd.112.048769
None ADMET CL 814100.0 mL.min-1.g-1 10.1124/dmd.112.048769
None ADMET Drug metabolism nan None 10.1021/jm401853a
None ADMET Drug uptake 3.0 ng/ml 10.1016/j.ejmech.2019.01.041
None ADMET Drug uptake 685.0 ng/ml 10.1016/j.ejmech.2020.113018
None ADMET Drug uptake nan None 10.1016/j.bmcl.2019.08.003
None ADMET Drug uptake nan None 10.1021/acs.jmedchem.7b00049
None ADMET IC50 2120.0 nM 10.1039/d1md00306b
None ADMET IC50 200000.0 nM 10.1021/jm070731a
None ADMET Km 1430.0 nM 10.1124/dmd.112.048769
None ADMET Km 1520.0 nM 10.1124/dmd.112.048769
None ADMET Km 1750.0 nM 10.1124/dmd.112.048769
None ADMET Mortality 0.0 % 10.1016/j.bmcl.2005.03.046
None ADMET Mortality 100.0 % 10.1016/j.bmcl.2005.03.046
None ADMET MRT 0.81 hr 10.1124/dmd.108.020479
None ADMET Ratio 2.0 None 10.1124/dmd.112.048769
None ADMET Ratio IC50 0.88 None 10.1016/j.ejmech.2021.113866
None ADMET T1/2 0.15 hr 10.1016/j.ejmech.2018.01.001
None ADMET T1/2 0.15 hr 10.1016/j.ejmech.2021.113806
None ADMET T1/2 1.0 hr 10.1124/dmd.108.020479
None ADMET TI 597.0 None 10.1016/j.ejmech.2020.113135
None ADMET Vdss 1.5 L.kg-1 10.1124/dmd.108.020479
None ADMET Vmax 573.2 nmol/min/mg 10.1124/dmd.112.048769
None ADMET Vmax 828.1 nmol/min/mg 10.1124/dmd.112.048769
None ADMET Vmax 1234.0 nmol/min/mg 10.1124/dmd.112.048769
None BC1 cell line IC50 33.77 nM 10.6019/CHEMBL1201861
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 4.3 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value 1.4 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
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 1.0 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 1.0 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 LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value 1.4 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 1.4 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value 1.4 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None NON-PROTEIN TARGET Activity 20.0 % 10.1016/j.ejmech.2015.11.006
None NON-PROTEIN TARGET Activity nan None 10.1016/j.bmcl.2013.12.044
None NON-PROTEIN TARGET EC50 1.4 nM 10.1021/jm401853a
None NON-PROTEIN TARGET EC50 10.0 nM 10.1021/jm500531z
None NON-PROTEIN TARGET EC50 65.0 nM 10.1016/j.bmcl.2016.03.076
None NON-PROTEIN TARGET EC50 104.9 nM 10.1021/jm401853a
None NON-PROTEIN TARGET EC50 2000.0 nM 10.1021/jm500531z
None NON-PROTEIN TARGET EC50 100000.0 nM 10.1016/j.bmcl.2016.03.076
None NON-PROTEIN TARGET EC50 611000.0 nM 10.1021/jm401853a
None NON-PROTEIN TARGET EC50 2000000.0 nM 10.1021/jm401853a
None NON-PROTEIN TARGET Fu 1.0 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET GI 79.0 % 10.1007/s00044-011-9834-7
None NON-PROTEIN TARGET Hepatotoxicity (acute) 45.5 % 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) 13.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 90.9 % 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 0.36 nM 10.1124/dmd.110.033613
None NON-PROTEIN TARGET IC50 1.0 nM 10.1124/dmd.110.033613
None NON-PROTEIN TARGET IC50 1.5 nM 10.1124/dmd.110.033613
None NON-PROTEIN TARGET IC50 2.6 nM 10.1038/nchembio.90
None NON-PROTEIN TARGET IC50 2.8 nM 10.1124/dmd.110.033613
None NON-PROTEIN TARGET IC50 3.2 nM 10.1124/dmd.110.033613
None NON-PROTEIN TARGET IC50 3.4 nM 10.1124/dmd.110.033613
None NON-PROTEIN TARGET IC50 3.9 nM 10.1016/j.ejmech.2015.03.064
None NON-PROTEIN TARGET IC50 4.0 nM 10.1124/dmd.110.033613
None NON-PROTEIN TARGET IC50 5.0 nM 10.1021/jm2005173
None NON-PROTEIN TARGET IC50 6.9 nM 10.1016/j.ejmech.2015.03.064
None NON-PROTEIN TARGET IC50 13.0 nM 10.1021/jm070269u
None NON-PROTEIN TARGET IC50 17.0 nM 10.1016/j.ejmech.2015.03.064
None NON-PROTEIN TARGET IC50 18.0 nM 10.1016/j.ejmech.2015.03.064
None NON-PROTEIN TARGET IC50 19.0 nM 10.1021/jm2005173
None NON-PROTEIN TARGET IC50 22.0 nM 10.1021/jm2005173
None NON-PROTEIN TARGET IC50 210.0 nM 10.1021/jm070269u
None NON-PROTEIN TARGET IC50 500.0 nM 10.1021/jm100504d
None NON-PROTEIN TARGET IC50 600.0 nM 10.1016/j.ejmech.2015.02.021
None NON-PROTEIN TARGET IC50 896.5 nM 10.1038/nchembio.90
None NON-PROTEIN TARGET IC50 1490.0 nM 10.1021/jm2005173
None NON-PROTEIN TARGET IC50 2780.0 nM 10.1021/jm2005173
None NON-PROTEIN TARGET IC50 3000.0 nM 10.1021/np300573m
None NON-PROTEIN TARGET IC50 3580.0 nM 10.1039/C5MD00158G
None NON-PROTEIN TARGET IC50 3920.0 nM 10.1016/j.bmcl.2013.07.059
None NON-PROTEIN TARGET IC50 5620.0 nM 10.1039/C5MD00158G
None NON-PROTEIN TARGET IC50 7330.0 nM 10.1039/C5MD00158G
None NON-PROTEIN TARGET IC50 11000.0 nM 10.1016/j.bmcl.2016.06.040
None NON-PROTEIN TARGET IC50 17100.0 nM 10.1016/j.bmcl.2013.02.061
None NON-PROTEIN TARGET IC50 20000.0 nM 10.1021/jm070269u
None NON-PROTEIN TARGET Inhibition nan % 10.1016/j.ejmech.2015.03.064
None NON-PROTEIN TARGET PC50 200.0 uM 10.1016/j.bmcl.2013.12.044
None NON-PROTEIN TARGET PC50 200.0 uM 10.1021/acs.jnatprod.6b00381
None NON-PROTEIN TARGET PC50 200.0 uM 10.1021/np300295h
None NON-PROTEIN TARGET Ratio EC50 23.0 None 10.1021/jm500531z
None NON-PROTEIN TARGET TGI 47.0 % 10.1016/j.bmcl.2015.10.061
None NON-PROTEIN TARGET TGI nan None 10.1016/j.bmcl.2016.10.008
None NON-PROTEIN TARGET TGI nan None 10.1021/jm401853a
None No relevant target LogD7.4 -1.5 None 10.6019/CHEMBL3301361
None No relevant target LogP -1.4 None 10.1016/j.ejmech.2009.12.043
None No relevant target Retention_time 0.93 min 10.1021/jm500531z
None Unchecked Activity 0.3 ng/ml 10.1016/j.ejmech.2020.113018
None Unchecked Activity 0.88 ng/ml 10.1021/acs.jmedchem.1c01806
None Unchecked Activity 3.0 % 10.1038/nchembio.90
None Unchecked Activity 30.0 % 10.1016/j.bmc.2016.03.052
None Unchecked Activity 43.0 % 10.1021/acs.jmedchem.0c00545
None Unchecked Activity nan None 10.1016/j.bmc.2016.03.052
None Unchecked Activity nan None 10.1016/j.bmc.2020.115857
None Unchecked Activity nan None 10.1021/acs.jmedchem.1c00994
None Unchecked Activity nan None 10.1021/acs.jmedchem.1c01806
None Unchecked Activity nan None 10.1021/acs.jmedchem.8b00838
None Unchecked Activity nan None 10.1021/acsmedchemlett.0c00317
None Unchecked EC50 53.0 nM 10.1021/acsmedchemlett.0c00485
None Unchecked EC50 74.0 nM 10.1021/acsmedchemlett.0c00485
None Unchecked FC 5.0 None 10.1021/acs.jmedchem.1c01806
None Unchecked Hepatotoxicity (acute) 12.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 2.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 3.0 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) 6.0 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) 2.0 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 1.0 nM 10.1021/acs.jmedchem.1c02207
None Unchecked IC50 5.0 nM 10.1016/j.ejmech.2020.112670
None Unchecked IC50 5.54 nM 10.1016/j.ejmech.2020.112857
None Unchecked IC50 10.0 nM 10.1016/j.ejmech.2020.112088
None Unchecked IC50 30.0 nM 10.1016/j.ejmech.2020.112088
None Unchecked IC50 50.0 nM 10.1021/acs.jmedchem.6b01766
None Unchecked IC50 50.0 nM 10.1021/acs.jmedchem.8b01258
None Unchecked IC50 50.0 nM 10.1039/C7MD00319F
None Unchecked IC50 100.0 nM 10.1021/acs.jmedchem.6b01766
None Unchecked IC50 100.0 nM 10.1021/acs.jmedchem.8b01258
None Unchecked IC50 140.0 nM 10.1021/acs.jmedchem.7b01463
None Unchecked IC50 530.0 nM 10.1016/j.bmc.2016.09.033
None Unchecked IC50 1860.0 nM 10.1039/C8MD00610E
None Unchecked IC50 5730.0 nM 10.1016/j.bmc.2016.09.033
None Unchecked IC50 10000.0 nM 10.1016/j.ejmech.2020.112088
None Unchecked IC50 21480.0 nM 10.1016/j.ejmech.2020.112661
None Unchecked IC50 21480.0 nM 10.1039/d1md00306b
None Unchecked IC50 50000.0 nM 10.1021/acsmedchemlett.8b00125
None Unchecked IC50 50000.0 nM 10.1039/C7MD00319F
None Unchecked IC50 nan None None
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.0c00545
None Unchecked Inhibition nan % 10.1021/acsmedchemlett.0c00317
None Unchecked Ki nan None None
None Unchecked MST 12.0 day 10.1021/acsmedchemlett.0c00317
None Unchecked Potency 12.1 nM None
None Unchecked Potency 13.6 nM None
None Unchecked Potency 38.2 nM None
None Unchecked Potency 60.5 nM None
None Unchecked Potency 191.4 nM None
None Unchecked Potency 1706.2 nM None
None Unchecked Potency 4808.7 nM None
None Unchecked Potency 17061.9 nM None
None Unchecked Ratio CC50/EC50 1.0 None 10.1021/acsmedchemlett.0c00485
None Unchecked Ratio CC50/EC50 5.3 None 10.1016/j.bmc.2016.03.052
None Unchecked Ratio CC50/EC50 2250.0 None 10.1016/j.bmc.2013.08.023
None Unchecked Ratio IC50 2.07 None 10.1016/j.bmcl.2019.08.003
None Unchecked Ratio IC50 2.12 None 10.1016/j.ejmech.2020.112661
None Unchecked Ratio IC50 2.37 None 10.1016/j.bmcl.2019.08.003
None Unchecked Ratio IC50 3.73 None 10.1016/j.bmcl.2019.08.003
None Unchecked Ratio IC50 3.85 None 10.1016/j.bmcl.2019.08.003
None Unchecked Ratio IC50 3.97 None 10.1016/j.bmcl.2019.08.003
None Unchecked Ratio IC50 14.0 None 10.1016/j.ejmech.2020.113135
None Unchecked Ratio IC50 1373.0 None 10.1021/acsmedchemlett.8b00125
None Unchecked Stability 79.0 % 10.1016/j.ejmech.2020.113135
None Unchecked Stability 88.0 % 10.1016/j.ejmech.2020.113135
None Unchecked Stability 98.0 % 10.1016/j.ejmech.2020.113135
None Unchecked Stability 100.0 % 10.1016/j.ejmech.2020.113135
None Unchecked T1/2 0.1333 hr 10.1039/c9md00489k
None Unchecked TGI nan None 10.1021/acs.jmedchem.0c01197

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT006165 CC(C)[C@@H](N)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O>>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 enzymemap_51122
AKRT006343 CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O>>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 enzymemap_51127
AKRT006350 CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)C1(F)F>>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 enzymemap_51118
AKRT007249 CCC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O>>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 enzymemap_51123
AKRT007250 CCC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)C1(F)F>>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 enzymemap_51116
AKRT020797 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1>>Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)C2(F)F)c(=O)n1 enzymemap_43472
AKRT020815 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OC(=O)[C@@H](N)Cc3ccccc3)C2(F)F)c(=O)n1>>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 enzymemap_51117
AKRT020817 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OC(=O)[C@H](N)Cc3ccccc3)C2(F)F)c(=O)n1>>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 enzymemap_51114
AKRT020836 Nc1ccn([C@@H]2O[C@H](COC(=O)[C@@H](N)Cc3ccccc3)[C@@H](O)C2(F)F)c(=O)n1>>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 enzymemap_51126
AKRT020838 Nc1ccn([C@@H]2O[C@H](COC(=O)[C@H](N)Cc3ccccc3)[C@@H](O)C2(F)F)c(=O)n1>>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 enzymemap_51121