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Compile Data Set for Download or QSAR

Found 691 hits of ic50 for UniProtKB: P10632   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50523585
PNG
(CHEMBL4577468)
Show SMILES OC(=O)c1ccc(CNc2ccc(cn2)-c2ccc(cn2)-c2nc3cc(Cl)ccc3[nH]2)cc1
Show InChI InChI=1S/C25H18ClN5O2/c26-19-7-9-21-22(11-19)31-24(30-21)18-5-8-20(27-14-18)17-6-10-23(29-13-17)28-12-15-1-3-16(4-2-15)25(32)33/h1-11,13-14H,12H2,(H,28,29)(H,30,31)(H,32,33)
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n/an/a 2.5n/an/an/an/an/an/a



Merck & Co. Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 29: 1380-1385 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.039
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50531416
PNG
(CHEMBL4451942)
Show SMILES Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H22N2O3S/c1-14-13-26-19-17(14)18(23)21(10-9-15-6-3-2-4-7-15)20(24)22(19)12-16-8-5-11-25-16/h2-4,6-7,13,16H,5,8-12H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis


Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50531422
PNG
(CHEMBL4522981)
Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
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n/an/a>20n/an/an/an/an/an/a



Bayer Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis


Eur J Med Chem 163: 763-778 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.045
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50239250
PNG
(CHEMBL4086080)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-3-4-22(30(37)36-32(13-14-32)23-11-15-35-16-12-23)18-25(19)21-7-10-27-26(17-21)28(31(38)34-2)29(39-27)20-5-8-24(33)9-6-20/h3-12,15-18H,13-14H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP2C8 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50384467
PNG
(CHEMBL2036213)
Show SMILES CCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C18H15F4N5O2/c1-2-16(28)27(10-11-3-5-15(6-4-11)29-18(20,21)22)14-8-12(7-13(19)9-14)17-23-25-26-24-17/h3-9H,2,10H2,1H3,(H,23,24,25,26)
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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C8 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry


ACS Med Chem Lett 2: 938-942 (2011)


Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM155255
PNG
(US10098888, Compound 105 | US9006242, 105)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1
Show InChI InChI=1S/C31H42N4O3/c1-6-35(26-11-15-38-16-12-26)29-19-25(8-7-24-9-13-34(5)14-10-24)18-27(23(29)4)30(36)32-20-28-21(2)17-22(3)33-31(28)37/h17-19,24,26H,6,9-16,20H2,1-5H3,(H,32,36)(H,33,37)
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US Patent
n/an/a 47.4n/an/an/an/an/an/a



Epizyme Inc

US Patent


Assay Description
The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...


US Patent US10098888 (2018)


BindingDB Entry DOI: 10.7270/Q2BK1FDQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50123453
PNG
(CHEMBL3623290)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C
Show InChI InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1
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n/an/a>50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


J Med Chem 58: 8200-15 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01073
BindingDB Entry DOI: 10.7270/Q29P33FH
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50384475
PNG
(CHEMBL2036225)
Show SMILES CS(=O)(=O)c1ccc(CN(C(=O)Cc2ccccc2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C23H20FN5O3S/c1-33(31,32)21-9-7-17(8-10-21)15-29(22(30)11-16-5-3-2-4-6-16)20-13-18(12-19(24)14-20)23-25-27-28-26-23/h2-10,12-14H,11,15H2,1H3,(H,25,26,27,28)
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C8 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry


ACS Med Chem Lett 2: 938-942 (2011)


Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50384472
PNG
(CHEMBL2036220)
Show SMILES CCC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C18H18FN5O3S/c1-3-17(25)24(11-12-4-6-16(7-5-12)28(2,26)27)15-9-13(8-14(19)10-15)18-20-22-23-21-18/h4-10H,3,11H2,1-2H3,(H,20,21,22,23)
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n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C8 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry


ACS Med Chem Lett 2: 938-942 (2011)


Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50533229
PNG
(CHEMBL4446613)
Show SMILES Fc1ccc(c(F)c1)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Show InChI InChI=1S/C18H12F2N4/c19-11-1-2-13(15(20)9-11)16-10-17(14-5-8-22-18(14)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24)
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n/an/a 79n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 26: 4334-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.030
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50384473
PNG
(CHEMBL2036222)
Show SMILES CC(C)CC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C20H22FN5O3S/c1-13(2)8-19(27)26(12-14-4-6-18(7-5-14)30(3,28)29)17-10-15(9-16(21)11-17)20-22-24-25-23-20/h4-7,9-11,13H,8,12H2,1-3H3,(H,22,23,24,25)
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n/an/a 79n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C8 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry


ACS Med Chem Lett 2: 938-942 (2011)


Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50533229
PNG
(CHEMBL4446613)
Show SMILES Fc1ccc(c(F)c1)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Show InChI InChI=1S/C18H12F2N4/c19-11-1-2-13(15(20)9-11)16-10-17(14-5-8-22-18(14)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24)
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n/an/a 79n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 26: 4334-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.030
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50384464
PNG
(CHEMBL2036210)
Show SMILES CCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C18H15F4N5O/c1-2-16(28)27(10-11-3-5-13(6-4-11)18(20,21)22)15-8-12(7-14(19)9-15)17-23-25-26-24-17/h3-9H,2,10H2,1H3,(H,23,24,25,26)
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n/an/a 86n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C8 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry


ACS Med Chem Lett 2: 938-942 (2011)


Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50463725
PNG
(CHEMBL4242598)
Show SMILES NC(=O)c1ccc(nc1Oc1ccc(Oc2ccccc2)cc1)N1C[C@@H]2C[C@H]1CN2C(=O)C=C
Show InChI InChI=1S/C26H24N4O4/c1-2-24(31)30-16-17-14-18(30)15-29(17)23-13-12-22(25(27)32)26(28-23)34-21-10-8-20(9-11-21)33-19-6-4-3-5-7-19/h2-13,17-18H,1,14-16H2,(H2,27,32)/t17-,18-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



EMD Serono Research & Development Institute, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 28: 2939-2944 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.008
BindingDB Entry DOI: 10.7270/Q2QR50TC
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50533234
PNG
(CHEMBL4437930)
Show SMILES Fc1cc(F)c(cc1Cl)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Show InChI InChI=1S/C18H11ClF2N4/c19-13-7-12(14(20)8-15(13)21)17-9-16(11-3-6-23-18(11)25-17)24-10-1-4-22-5-2-10/h1-9H,(H2,22,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 26: 4334-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.030
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50533234
PNG
(CHEMBL4437930)
Show SMILES Fc1cc(F)c(cc1Cl)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Show InChI InChI=1S/C18H11ClF2N4/c19-13-7-12(14(20)8-15(13)21)17-9-16(11-3-6-23-18(11)25-17)24-10-1-4-22-5-2-10/h1-9H,(H2,22,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 26: 4334-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.030
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM155253
PNG
(US10098888, Compound 1 | US9006242, 1)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1
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US Patent
n/an/a>100n/an/an/an/an/an/a



Epizyme Inc

US Patent


Assay Description
The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...


US Patent US10098888 (2018)


BindingDB Entry DOI: 10.7270/Q2BK1FDQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50090462
PNG
(CHEMBL3581693)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
Show InChI InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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n/an/a<100n/an/an/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM155254
PNG
(US10098888, Compound 2 | US9006242, 2)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1
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US Patent
n/an/a>100n/an/an/an/an/an/a



Epizyme Inc

US Patent


Assay Description
The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...


US Patent US10098888 (2018)


BindingDB Entry DOI: 10.7270/Q2BK1FDQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50438845
PNG
(CHEMBL2413882)
Show SMILES CC(C)(C)n1nnnc1C(N1CCCC1)c1cccc(Nc2ccnc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C25H28ClN7/c1-25(2,3)33-24(29-30-31-33)23(32-13-4-5-14-32)17-7-6-8-19(15-17)28-21-11-12-27-22-16-18(26)9-10-20(21)22/h6-12,15-16,23H,4-5,13-14H2,1-3H3,(H,27,28)
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n/an/a 120n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation after 20 mins by LC-MS analysis


Bioorg Med Chem 21: 4904-13 (2013)


Article DOI: 10.1016/j.bmc.2013.06.067
BindingDB Entry DOI: 10.7270/Q2WH2RD3
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50175303
PNG
(CHEMBL3810042)
Show SMILES CC(C)OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N5O3S/c1-13(2)34-20(14-4-3-5-15(8-14)23(24,25)26)21-27-10-18(30-21)31-7-6-16(9-19(31)32)29-22(33)17-11-35-12-28-17/h3-13,20H,1-2H3,(H,27,30)(H,29,33)
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n/an/a 180n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


ACS Med Chem Lett 7: 525-30 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50265673
PNG
(CHEMBL4068611)
Show SMILES Cn1cc(cn1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(ccn1)C(F)(F)F)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C27H22F4N6O3S/c1-35-15-22(14-33-35)41(39,40)36-9-7-18-11-24-17(13-34-37(24)21-4-2-20(28)3-5-21)12-26(18,16-36)25(38)23-10-19(6-8-32-23)27(29,30)31/h2-6,8,10-11,13-15H,7,9,12,16H2,1H3/t26-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


J Med Chem 60: 3405-3421 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00162
BindingDB Entry DOI: 10.7270/Q27083X5
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50253810
PNG
(CHEMBL459505 | N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1...)
Show SMILES CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
Show InChI InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
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n/an/a 220n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...


US Patent US9963439 (2018)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50438846
PNG
(CHEMBL2413881)
Show SMILES CCN(CC)C(c1nnnn1C(C)(C)C)c1cccc(Nc2ccnc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C25H30ClN7/c1-6-32(7-2)23(24-29-30-31-33(24)25(3,4)5)17-9-8-10-19(15-17)28-21-13-14-27-22-16-18(26)11-12-20(21)22/h8-16,23H,6-7H2,1-5H3,(H,27,28)
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n/an/a 220n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation after 20 mins by LC-MS analysis


Bioorg Med Chem 21: 4904-13 (2013)


Article DOI: 10.1016/j.bmc.2013.06.067
BindingDB Entry DOI: 10.7270/Q2WH2RD3
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50384474
PNG
(CHEMBL2036223)
Show SMILES CS(=O)(=O)c1ccc(CN(C(=O)C2CCCC2)c2cc(F)cc(c2)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C21H22FN5O3S/c1-31(29,30)19-8-6-14(7-9-19)13-27(21(28)15-4-2-3-5-15)18-11-16(10-17(22)12-18)20-23-25-26-24-20/h6-12,15H,2-5,13H2,1H3,(H,23,24,25,26)
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n/an/a 220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C8 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry


ACS Med Chem Lett 2: 938-942 (2011)


Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50380508
PNG
(CHEMBL2018923)
Show SMILES COc1ccc2nc(SCc3cccc(c3)-c3ccccc3)[nH]c2c1
Show InChI InChI=1S/C21H18N2OS/c1-24-18-10-11-19-20(13-18)23-21(22-19)25-14-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,22,23)
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Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 5 mins by LC-MS/MS analysis


J Med Chem 55: 1205-14 (2012)


Article DOI: 10.1021/jm201346g
BindingDB Entry DOI: 10.7270/Q2QV3NHG
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50366401
PNG
(CHEMBL4169721)
Show SMILES Cl.Cl.CCCc1ccncc1-c1ccc(CN)o1
Show InChI InChI=1S/C13H16N2O/c1-2-3-10-6-7-15-9-12(10)13-5-4-11(8-14)16-13/h4-7,9H,2-3,8,14H2,1H3
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n/an/a 260n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate preincubated for 5 mins followed by addition of NADPH-regenerating syst...


J Med Chem 61: 7065-7086 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00084
BindingDB Entry DOI: 10.7270/Q2QN69B5
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM253985
PNG
(US9481673, 27)
Show SMILES CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C33H27N7O/c1-21-14-18-40-30(19-21)39-31(24-12-16-35-17-13-24)32(40)26-8-11-29(38-33(41)22(2)34-3)37-28(26)10-7-23-6-9-27-25(20-23)5-4-15-36-27/h4-6,8-9,11-20,22,34H,1-3H3,(H,37,38,41)
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n/an/a 300n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen...


US Patent US9481673 (2016)


BindingDB Entry DOI: 10.7270/Q24M93G0
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM253988
PNG
(US9481673, 82)
Show SMILES CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc(cc1)-c1ccon1
Show InChI InChI=1S/C33H27N7O2/c1-21-14-18-40-30(20-21)38-31(25-12-16-35-17-13-25)32(40)26-9-11-29(37-33(41)22(2)34-3)36-28(26)10-6-23-4-7-24(8-5-23)27-15-19-42-39-27/h4-5,7-9,11-20,22,34H,1-3H3,(H,36,37,41)
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n/an/a 300n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen...


US Patent US9481673 (2016)


BindingDB Entry DOI: 10.7270/Q24M93G0
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50238082
PNG
(CHEMBL4102696)
Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(F)ccc1F
Show InChI InChI=1S/C18H13F2N5/c1-10-8-22-16(12-6-11(19)2-3-13(12)20)7-15(10)24-14-4-5-21-17-9-23-25-18(14)17/h2-9H,1H3,(H,23,25)(H,21,22,24)
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n/an/a 316n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50384469
PNG
(CHEMBL2036017)
Show SMILES CCCCC(=O)N(Cc1ccc(OC)cc1)c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C20H23N5O2/c1-3-4-8-19(26)25(14-15-9-11-18(27-2)12-10-15)17-7-5-6-16(13-17)20-21-23-24-22-20/h5-7,9-13H,3-4,8,14H2,1-2H3,(H,21,22,23,24)
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n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C8 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry


ACS Med Chem Lett 2: 938-942 (2011)


Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50239251
PNG
(CHEMBL4096241)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1cccnc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-5-6-22(30(37)36-32(13-14-32)23-4-3-15-35-18-23)17-25(19)21-9-12-27-26(16-21)28(31(38)34-2)29(39-27)20-7-10-24(33)11-8-20/h3-12,15-18H,13-14H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 350n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP2C8 (unknown origin)


J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50238081
PNG
(CHEMBL4084771)
Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C18H13ClFN5/c1-10-8-22-16(12-6-11(19)2-3-13(12)20)7-15(10)24-14-4-5-21-17-9-23-25-18(14)17/h2-9H,1H3,(H,23,25)(H,21,22,24)
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Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50440368
PNG
(CHEMBL2425146)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1ccnc1)C(C)(C)C
Show InChI InChI=1S/C24H26N6O/c1-17-5-9-20(10-6-17)30-22(15-21(28-30)24(2,3)4)27-23(31)26-18-7-11-19(12-8-18)29-14-13-25-16-29/h5-16H,1-4H3,(H2,26,27,31)
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n/an/a 400n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50125972
PNG
(CHEMBL3627894)
Show SMILES COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1
Show InChI InChI=1S/C26H20Cl3FN6O2/c1-13-32-12-36(35-13)16-7-19(28)24(20(29)8-16)26(37)31-11-17(14-4-3-5-15(30)6-14)25-33-21-9-18(27)23(38-2)10-22(21)34-25/h3-10,12,17H,11H2,1-2H3,(H,31,37)(H,33,34)/t17-/m0/s1
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n/an/a 456n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 25: 4945-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.057
BindingDB Entry DOI: 10.7270/Q20Z753B
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50384470
PNG
(CHEMBL2036030)
Show SMILES CCC(=O)N(Cc1cccc(OC(C)C)c1)c1cc(F)cc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C20H22FN5O2/c1-4-19(27)26(12-14-6-5-7-18(8-14)28-13(2)3)17-10-15(9-16(21)11-17)20-22-24-25-23-20/h5-11,13H,4,12H2,1-3H3,(H,22,23,24,25)
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n/an/a 470n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C8 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry


ACS Med Chem Lett 2: 938-942 (2011)


Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50157605
PNG
(LIAROZOLE | Liarozole | Liazal | R-75251 | US99634...)
Show SMILES Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1
Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
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n/an/a 480n/an/an/an/an/an/a



University of Washington Through its Center for Commercialization

US Patent


Assay Description
Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...


US Patent US9963439 (2018)


BindingDB Entry DOI: 10.7270/Q2FN18J2
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM253986
PNG
(US9481673, 64)
Show SMILES CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2nc(C)ccc2c1
Show InChI InChI=1S/C34H29N7O/c1-21-15-18-41-31(19-21)40-32(25-13-16-36-17-14-25)33(41)27-9-12-30(39-34(42)23(3)35-4)38-29(27)11-7-24-6-10-28-26(20-24)8-5-22(2)37-28/h5-6,8-10,12-20,23,35H,1-4H3,(H,38,39,42)
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n/an/a 500n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen...


US Patent US9481673 (2016)


BindingDB Entry DOI: 10.7270/Q24M93G0
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50275736
PNG
(6-methoxy-2-(naphthalen-2-ylmethylthio)-1H-benzo[d...)
Show SMILES COc1ccc2nc(SCc3ccc4ccccc4c3)[nH]c2c1
Show InChI InChI=1S/C19H16N2OS/c1-22-16-8-9-17-18(11-16)21-19(20-17)23-12-13-6-7-14-4-2-3-5-15(14)10-13/h2-11H,12H2,1H3,(H,20,21)
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Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 5 mins by LC-MS/MS analysis


J Med Chem 55: 1205-14 (2012)


Article DOI: 10.1021/jm201346g
BindingDB Entry DOI: 10.7270/Q2QV3NHG
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50384471
PNG
(CHEMBL2036203)
Show SMILES CCCCC(=O)N(Cc1ccc2OCCOc2c1)c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C21H23N5O3/c1-2-3-7-20(27)26(14-15-8-9-18-19(12-15)29-11-10-28-18)17-6-4-5-16(13-17)21-22-24-25-23-21/h4-6,8-9,12-13H,2-3,7,10-11,14H2,1H3,(H,22,23,24,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C8 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry


ACS Med Chem Lett 2: 938-942 (2011)


Article DOI: 10.1021/ml200223s
BindingDB Entry DOI: 10.7270/Q2Z89DGQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50533237
PNG
(CHEMBL4526347)
Show SMILES Fc1ccc(cc1F)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Show InChI InChI=1S/C18H12F2N4/c19-14-2-1-11(9-15(14)20)16-10-17(13-5-8-22-18(13)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24)
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n/an/a 631n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 26: 4334-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.030
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50533237
PNG
(CHEMBL4526347)
Show SMILES Fc1ccc(cc1F)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Show InChI InChI=1S/C18H12F2N4/c19-14-2-1-11(9-15(14)20)16-10-17(13-5-8-22-18(13)24-16)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24)
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n/an/a 631n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


Bioorg Med Chem Lett 26: 4334-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.030
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50380511
PNG
(CHEMBL2018926)
Show SMILES COc1ccc2nc(SCc3ccc(OCc4ccccc4)cc3)[nH]c2c1
Show InChI InChI=1S/C22H20N2O2S/c1-25-19-11-12-20-21(13-19)24-22(23-20)27-15-17-7-9-18(10-8-17)26-14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,23,24)
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n/an/a 680n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate preincubated for 5 mins by LC-MS/MS analysis


J Med Chem 55: 1205-14 (2012)


Article DOI: 10.1021/jm201346g
BindingDB Entry DOI: 10.7270/Q2QV3NHG
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM253135
PNG
(US9458171, 95)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F8NO5S/c28-20-9-11-21(12-10-20)42(40,41)24(13-14-36(15-24)22(37)16-1-3-17(4-2-16)23(38)39)18-5-7-19(8-6-18)25(29,26(30,31)32)27(33,34)35/h5-12,16-17H,1-4,13-15H2,(H,38,39)/t16-,17-,24-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


ACS Med Chem Lett 10: 367-373 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00010
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50505787
PNG
(CHEMBL4537998)
Show SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C27H21ClFN3O2/c28-19-5-3-18(4-6-19)26-24-2-1-16-30-25(24)15-17-32(26)27(33)31-21-9-13-23(14-10-21)34-22-11-7-20(29)8-12-22/h1-14,16,26H,15,17H2,(H,31,33)/t26-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysis


J Med Chem 62: 10321-10341 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01382
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50446755
PNG
(CHEMBL3114608)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C22H24N6O2/c29-22(23-20-14-19(20)15-4-2-1-3-5-15)28-12-10-18(11-13-28)30-17-8-6-16(7-9-17)21-24-26-27-25-21/h1-9,18-20H,10-14H2,(H,23,29)(H,24,25,26,27)/t19-,20+/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes after 10 mins by LC/MS/MS analysis


Bioorg Med Chem 22: 1548-57 (2014)


Article DOI: 10.1016/j.bmc.2014.01.040
BindingDB Entry DOI: 10.7270/Q22F7PW9
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 803n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 8 mins by LC-MS/MS analysis


Drug Metab Dispos 40: 943-51 (2012)


Article DOI: 10.1124/dmd.111.043505
BindingDB Entry DOI: 10.7270/Q2PN97D2
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50520151
PNG
(CHEMBL4537673)
Show SMILES C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1
Show InChI InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1
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n/an/a 860n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin)


J Med Chem 63: 601-612 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01460
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50396534
PNG
(CHEMBL2171124)
Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)
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n/an/a 890n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 5 to 60 mins by LC-MS/MS analysis


ACS Med Chem Lett 4: 964-8 (2013)


Article DOI: 10.1021/ml400228e
BindingDB Entry DOI: 10.7270/Q24X597X
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM253992
PNG
(US9481673, (S)-2)
Show SMILES CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(C)c2)c(n1)C#Cc1ccc2c(C)nccc2c1
Show InChI InChI=1S/C35H31N7O/c1-21-14-17-42-32(18-21)41-33(27-13-15-37-22(2)19-27)34(42)29-9-11-31(40-35(43)24(4)36-5)39-30(29)10-7-25-6-8-28-23(3)38-16-12-26(28)20-25/h6,8-9,11-20,24,36H,1-5H3,(H,39,40,43)/t24-/m0/s1
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US Patent
n/an/a 900n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The final incubation volume contains TRIS buffer (0.1 M), MgCl2 (5 mM), a certain concentration of human liver microsomes dependent on the P450 isoen...


US Patent US9481673 (2016)


BindingDB Entry DOI: 10.7270/Q24M93G0
More data for this
Ligand-Target Pair
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