Found 4777 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50114571
(CHEMBL3608915)Show SMILES COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(c(F)c1)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)OC)c2ccccc2)cc1F)c1ccccc1 Show InChI InChI=1S/C42H42F2N6O8/c1-57-41(55)47-35(25-11-5-3-6-12-25)39(53)49-21-9-15-33(49)37(51)45-27-17-19-29(31(43)23-27)30-20-18-28(24-32(30)44)46-38(52)34-16-10-22-50(34)40(54)36(48-42(56)58-2)26-13-7-4-8-14-26/h3-8,11-14,17-20,23-24,33-36H,9-10,15-16,21-22H2,1-2H3,(H,45,51)(H,46,52)(H,47,55)(H,48,56)/t33-,34-,35+,36+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 88 | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by luminometry |
Eur J Med Chem 101: 163-78 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.033
BindingDB Entry DOI: 10.7270/Q28K7BWD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50114572
(CHEMBL3608916)Show SMILES COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(c(Cl)c1)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)OC)c2ccccc2)cc1Cl)c1ccccc1 Show InChI InChI=1S/C42H42Cl2N6O8/c1-57-41(55)47-35(25-11-5-3-6-12-25)39(53)49-21-9-15-33(49)37(51)45-27-17-19-29(31(43)23-27)30-20-18-28(24-32(30)44)46-38(52)34-16-10-22-50(34)40(54)36(48-42(56)58-2)26-13-7-4-8-14-26/h3-8,11-14,17-20,23-24,33-36H,9-10,15-16,21-22H2,1-2H3,(H,45,51)(H,46,52)(H,47,55)(H,48,56)/t33-,34-,35+,36+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 116 | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by luminometry |
Eur J Med Chem 101: 163-78 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.033
BindingDB Entry DOI: 10.7270/Q28K7BWD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50418549
(CHEMBL1319809)Show SMILES COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 Show InChI InChI=1S/C17H18N2O5S/c1-11-4-5-13(17(21)24-3)10-16(11)19-25(22,23)15-8-6-14(7-9-15)18-12(2)20/h4-10,19H,1-3H3,(H,18,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a |
Elara Pharmaceuticals GmbH
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay |
J Med Chem 54: 3982-6 (2011)
Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50114573
(CHEMBL3608920)Show SMILES COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)cc3C(C)(C)c2c1)c1ccccc1 Show InChI InChI=1S/C45H48N6O8/c1-45(2)33-25-29(46-39(52)35-17-11-23-50(35)41(54)37(48-43(56)58-3)27-13-7-5-8-14-27)19-21-31(33)32-22-20-30(26-34(32)45)47-40(53)36-18-12-24-51(36)42(55)38(49-44(57)59-4)28-15-9-6-10-16-28/h5-10,13-16,19-22,25-26,35-38H,11-12,17-18,23-24H2,1-4H3,(H,46,52)(H,47,53)(H,48,56)(H,49,57)/t35-,36-,37+,38+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 269 | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by luminometry |
Eur J Med Chem 101: 163-78 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.033
BindingDB Entry DOI: 10.7270/Q28K7BWD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50114574
(CHEMBL3608921)Show SMILES COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)cc3C(F)(F)c2c1)c1ccccc1 Show InChI InChI=1S/C43H42F2N6O8/c1-58-41(56)48-35(25-11-5-3-6-12-25)39(54)50-21-9-15-33(50)37(52)46-27-17-19-29-30-20-18-28(24-32(30)43(44,45)31(29)23-27)47-38(53)34-16-10-22-51(34)40(55)36(49-42(57)59-2)26-13-7-4-8-14-26/h3-8,11-14,17-20,23-24,33-36H,9-10,15-16,21-22H2,1-2H3,(H,46,52)(H,47,53)(H,48,56)(H,49,57)/t33-,34-,35+,36+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 277 | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by luminometry |
Eur J Med Chem 101: 163-78 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.033
BindingDB Entry DOI: 10.7270/Q28K7BWD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50114568
(CHEMBL3608913)Show SMILES COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)OC)c3ccccc3)cc2C(F)(F)F)c(c1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C44H42F6N6O8/c1-63-41(61)53-35(25-11-5-3-6-12-25)39(59)55-21-9-15-33(55)37(57)51-27-17-19-29(31(23-27)43(45,46)47)30-20-18-28(24-32(30)44(48,49)50)52-38(58)34-16-10-22-56(34)40(60)36(54-42(62)64-2)26-13-7-4-8-14-26/h3-8,11-14,17-20,23-24,33-36H,9-10,15-16,21-22H2,1-2H3,(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t33-,34-,35+,36+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 660 | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 by luminometry |
Eur J Med Chem 101: 163-78 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.033
BindingDB Entry DOI: 10.7270/Q28K7BWD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50418554
(CHEMBL1784702)Show InChI InChI=1S/C16H17NO4S/c1-11-4-8-14(9-5-11)22(19,20)17-15-10-13(16(18)21-3)7-6-12(15)2/h4-10,17H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a |
Elara Pharmaceuticals GmbH
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay |
J Med Chem 54: 3982-6 (2011)
Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50418556
(CHEMBL1450745)Show SMILES COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 Show InChI InChI=1S/C17H19NO6S/c1-11-5-6-12(17(19)24-4)9-14(11)18-25(20,21)13-7-8-15(22-2)16(10-13)23-3/h5-10,18H,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a |
Elara Pharmaceuticals GmbH
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay |
J Med Chem 54: 3982-6 (2011)
Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50418553
(CHEMBL1784701)Show SMILES COC(=O)c1ccc2OCCN(c2c1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C17H17NO5S/c1-12-3-6-14(7-4-12)24(20,21)18-9-10-23-16-8-5-13(11-15(16)18)17(19)22-2/h3-8,11H,9-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a |
Elara Pharmaceuticals GmbH
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay |
J Med Chem 54: 3982-6 (2011)
Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50418555
(CHEMBL1386228)Show InChI InChI=1S/C16H17NO5S/c1-11-4-5-12(16(18)22-3)10-15(11)17-23(19,20)14-8-6-13(21-2)7-9-14/h4-10,17H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a |
Elara Pharmaceuticals GmbH
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay |
J Med Chem 54: 3982-6 (2011)
Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50448495
(CHEMBL3126836)Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C2CC1CN(Cc1ccccc1)C2)C(=O)NS(=O)(=O)N(C)C Show InChI InChI=1S/C41H47N5O5S/c1-43(2)52(49,50)42-39(47)28-14-16-33-36(18-28)45-25-41(40(48)46-29-19-30(46)24-44(23-29)22-26-10-6-4-7-11-26)21-35(41)34-20-31(51-3)15-17-32(34)38(45)37(33)27-12-8-5-9-13-27/h4,6-7,10-11,14-18,20,27,29-30,35H,5,8-9,12-13,19,21-25H2,1-3H3,(H,42,47) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins in presence of NADPH |
J Med Chem 57: 1855-79 (2014)
Article DOI: 10.1021/jm4016894
BindingDB Entry DOI: 10.7270/Q2V989JD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275432
(CHEMBL487965 | S-2-(6-(1,4-dihydrobenzo[d][1,2]dio...)Show SMILES CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3COOCc3c2)nc1 Show InChI InChI=1S/C17H16N2O6S2/c1-11(20)26-10-16(21)12-3-5-17(18-7-12)19-27(22,23)15-4-2-13-8-24-25-9-14(13)6-15/h2-7H,8-10H2,1H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50418551
(CHEMBL1784699)Show SMILES COC(=O)c1ccc(C)c(c1)N(C)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C17H19NO4S/c1-12-5-9-15(10-6-12)23(20,21)18(3)16-11-14(17(19)22-4)8-7-13(16)2/h5-11H,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a |
Elara Pharmaceuticals GmbH
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay |
J Med Chem 54: 3982-6 (2011)
Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50348709
(CHEMBL1801062)Show SMILES Fc1cccc2c(Cn3c(nc4nccnc34)C3CC(F)(F)C3)cc(=O)[nH]c12 Show InChI InChI=1S/C19H14F3N5O/c20-13-3-1-2-12-10(6-14(28)25-15(12)13)9-27-17(11-7-19(21,22)8-11)26-16-18(27)24-5-4-23-16/h1-6,11H,7-9H2,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 53: 7739-55 (2010)
Article DOI: 10.1021/jm100828n
BindingDB Entry DOI: 10.7270/Q29Z9584 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50418552
(CHEMBL1784700)Show SMILES COC(=O)c1ccc(C)c(c1)N(C)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C17H19NO5S/c1-12-5-6-13(17(19)23-4)11-16(12)18(2)24(20,21)15-9-7-14(22-3)8-10-15/h5-11H,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a |
Elara Pharmaceuticals GmbH
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay |
J Med Chem 54: 3982-6 (2011)
Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50348710
(CHEMBL1801506)Show SMILES CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 Show InChI InChI=1S/C19H17F2N5O/c1-10(2)7-14-24-18-19(23-6-5-22-18)26(14)9-11-8-15(27)25-17-12(11)3-4-13(20)16(17)21/h3-6,8,10H,7,9H2,1-2H3,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 53: 7739-55 (2010)
Article DOI: 10.1021/jm100828n
BindingDB Entry DOI: 10.7270/Q29Z9584 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50517935
(CHEMBL4526434)Show InChI InChI=1S/C13H18O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h5-8,10-11,14-15H,1-4,9H2/t10-,11- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a |
Concordia University Wisconsin
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 preincubated for 10 mins followed by NADPH addition and measured after 10 to 30 mins by P450-Glo luminescence ... |
J Med Chem 61: 4720-4738 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01601 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50418550
(CHEMBL1784698)Show SMILES COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)cc2)c1 Show InChI InChI=1S/C16H17NO6S/c1-21-12-5-7-13(8-6-12)24(19,20)17-14-10-11(16(18)23-3)4-9-15(14)22-2/h4-10,17H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | n/a | n/a | 3.98E+4 | n/a | n/a | n/a | n/a |
Elara Pharmaceuticals GmbH
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay |
J Med Chem 54: 3982-6 (2011)
Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50448496
(CHEMBL3126835)Show SMILES CCN1CC2CC(C1)N2C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1C2)C(=O)NS(=O)(=O)N(C)C Show InChI InChI=1S/C36H45N5O5S/c1-5-39-19-24-16-25(20-39)41(24)35(43)36-18-30(36)29-17-26(46-4)12-14-27(29)33-32(22-9-7-6-8-10-22)28-13-11-23(15-31(28)40(33)21-36)34(42)37-47(44,45)38(2)3/h11-15,17,22,24-25,30H,5-10,16,18-21H2,1-4H3,(H,37,42)/t24?,25?,30-,36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| Article
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| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins in presence of NADPH |
J Med Chem 57: 1855-79 (2014)
Article DOI: 10.1021/jm4016894
BindingDB Entry DOI: 10.7270/Q2V989JD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50448494
(CHEMBL3126657)Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C2CC1CNC2)C(=O)NS(=O)(=O)N(C)C Show InChI InChI=1S/C34H41N5O5S/c1-37(2)45(42,43)36-32(40)21-9-11-26-29(13-21)38-19-34(33(41)39-22-14-23(39)18-35-17-22)16-28(34)27-15-24(44-3)10-12-25(27)31(38)30(26)20-7-5-4-6-8-20/h9-13,15,20,22-23,28,35H,4-8,14,16-19H2,1-3H3,(H,36,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
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| Article
PubMed
| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins in presence of NADPH |
J Med Chem 57: 1855-79 (2014)
Article DOI: 10.1021/jm4016894
BindingDB Entry DOI: 10.7270/Q2V989JD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50448497
(CHEMBL3126834)Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1C2CC1CN(C)C2)C(=O)NS(=O)(=O)N(C)C Show InChI InChI=1S/C35H43N5O5S/c1-37(2)46(43,44)36-33(41)22-10-12-27-30(14-22)39-20-35(34(42)40-23-15-24(40)19-38(3)18-23)17-29(35)28-16-25(45-4)11-13-26(28)32(39)31(27)21-8-6-5-7-9-21/h10-14,16,21,23-24,29H,5-9,15,17-20H2,1-4H3,(H,36,41)/t23?,24?,29-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 mins in presence of NADPH |
J Med Chem 57: 1855-79 (2014)
Article DOI: 10.1021/jm4016894
BindingDB Entry DOI: 10.7270/Q2V989JD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50275377
(CHEMBL520237 | S-2-(6-(4-(3-(dimethylamino)propoxy...)Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O Show InChI InChI=1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
KEGG
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Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 18: 6093-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.029
BindingDB Entry DOI: 10.7270/Q2F18ZJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50348732
(CHEMBL1801504)Show SMILES Fc1ccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C19H15F2N5O/c20-13-5-4-12-11(8-14(27)24-16(12)15(13)21)9-26-18(10-2-1-3-10)25-17-19(26)23-7-6-22-17/h4-8,10H,1-3,9H2,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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| n/a | n/a | n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 53: 7739-55 (2010)
Article DOI: 10.1021/jm100828n
BindingDB Entry DOI: 10.7270/Q29Z9584 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50348733
(CHEMBL1801060)Show SMILES Fc1cccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c12 Show InChI InChI=1S/C19H16FN5O/c20-14-6-2-5-13-12(9-15(26)23-16(13)14)10-25-18(11-3-1-4-11)24-17-19(25)22-8-7-21-17/h2,5-9,11H,1,3-4,10H2,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a |
Kalypsys Inc
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 53: 7739-55 (2010)
Article DOI: 10.1021/jm100828n
BindingDB Entry DOI: 10.7270/Q29Z9584 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50437753
(CHEMBL2409564)Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)cc2[nH]1 Show InChI InChI=1S/C32H27F3N4O4/c33-32(34,35)28-27(39-31(43-28)22-4-2-1-3-5-22)30(42)36-23-14-15-24-25(17-23)38-29(37-24)21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-26(40)41/h1-5,10-15,17-19H,6-9,16H2,(H,36,42)(H,37,38)(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Induction of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 4713-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.081
BindingDB Entry DOI: 10.7270/Q21J9C63 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50246760
(CHEMBL4075348)Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22) | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 61: 1425-1435 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01288
BindingDB Entry DOI: 10.7270/Q2Z03BK6 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50251022
(3-(4-hydroxy-3,5-diiodobenzoyl)-2-propyl-4H-chrome...)Show SMILES CCCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(O)c(I)c1 Show InChI InChI=1S/C19H14I2O4/c1-2-5-15-16(18(23)11-6-3-4-7-14(11)25-15)17(22)10-8-12(20)19(24)13(21)9-10/h3-4,6-9,24H,2,5H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Binding affinity to CYP2C9 (unknown origin) |
Bioorg Med Chem 16: 4064-74 (2008)
Article DOI: 10.1016/j.bmc.2008.01.021
BindingDB Entry DOI: 10.7270/Q22N522D |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273790
(6-Bromo-N-(naphthalen-2-yl)-2-(pyridin-4-yl)quinol...)Show SMILES Brc1ccc2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1ccncc1 Show InChI InChI=1S/C25H16BrN3O/c26-19-6-8-23-21(14-19)22(15-24(29-23)17-9-11-27-12-10-17)25(30)28-20-7-5-16-3-1-2-4-18(16)13-20/h1-15H,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin) |
J Med Chem 51: 8000-11 (2008)
Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273447
(6,8-Dimethyl-N-(naphthalen-2-yl)-2-(pyridin-4-yl)q...)Show SMILES Cc1cc(C)c2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1ccncc1 Show InChI InChI=1S/C27H21N3O/c1-17-13-18(2)26-23(14-17)24(16-25(30-26)20-9-11-28-12-10-20)27(31)29-22-8-7-19-5-3-4-6-21(19)15-22/h3-16H,1-2H3,(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
| CHEMBL
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PC sid
UniChem
Similars
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PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin) |
J Med Chem 51: 8000-11 (2008)
Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273788
(6-Chloro-N-(naphthalen-2-yl)-2-(pyridin-4-yl)quino...)Show SMILES Clc1ccc2nc(cc(C(=O)Nc3ccc4ccccc4c3)c2c1)-c1ccncc1 Show InChI InChI=1S/C25H16ClN3O/c26-19-6-8-23-21(14-19)22(15-24(29-23)17-9-11-27-12-10-17)25(30)28-20-7-5-16-3-1-2-4-18(16)13-20/h1-15H,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin) |
J Med Chem 51: 8000-11 (2008)
Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50158460
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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CHEBI
CHEMBL
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PC sid
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| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m
BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50158460
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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CHEBI
CHEMBL
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PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Binding affinity to CYP2C9 (unknown origin) |
Bioorg Med Chem 16: 4064-74 (2008)
Article DOI: 10.1016/j.bmc.2008.01.021
BindingDB Entry DOI: 10.7270/Q22N522D |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50158460
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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CHEBI
CHEMBL
PC cid
PC sid
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| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 51: 648-54 (2008)
Article DOI: 10.1021/jm701130z
BindingDB Entry DOI: 10.7270/Q2M32VH2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50251021
(2-ethyl-3-(4-hydroxy-3,5-diiodobenzoyl)-4H-chromen...)Show InChI InChI=1S/C18H12I2O4/c1-2-13-15(17(22)10-5-3-4-6-14(10)24-13)16(21)9-7-11(19)18(23)12(20)8-9/h3-8,23H,2H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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B.MOAD
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antibodypedia
GoogleScholar
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Binding affinity to CYP2C9 (unknown origin) |
Bioorg Med Chem 16: 4064-74 (2008)
Article DOI: 10.1016/j.bmc.2008.01.021
BindingDB Entry DOI: 10.7270/Q22N522D |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273785
(CHEMBL456181 | N-(Naphthalen-2-yl)-2-(pyridin-4-yl...)Show SMILES O=C(Nc1ccc2ccccc2c1)c1cc(nc2ccccc12)-c1ccncc1 Show InChI InChI=1S/C25H17N3O/c29-25(27-20-10-9-17-5-1-2-6-19(17)15-20)22-16-24(18-11-13-26-14-12-18)28-23-8-4-3-7-21(22)23/h1-16H,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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B.MOAD
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antibodypedia
GoogleScholar
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin) |
J Med Chem 51: 8000-11 (2008)
Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50158458
((2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-dimethylphe...)Show InChI InChI=1S/C19H18O3/c1-4-15-17(14-7-5-6-8-16(14)22-15)19(21)13-9-11(2)18(20)12(3)10-13/h5-10,20H,4H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m
BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50251020
(3-(4-hydroxy-3,5-diiodobenzoyl)-2-methyl-4H-chrome...)Show InChI InChI=1S/C17H10I2O4/c1-8-14(16(21)10-4-2-3-5-13(10)23-8)15(20)9-6-11(18)17(22)12(19)7-9/h2-7,22H,1H3 | PDB
MMDB
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PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Binding affinity to CYP2C9 (unknown origin) |
Bioorg Med Chem 16: 4064-74 (2008)
Article DOI: 10.1016/j.bmc.2008.01.021
BindingDB Entry DOI: 10.7270/Q22N522D |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50251136
(3-(3,5-diiodo-4-methoxybenzoyl)-2-propyl-4H-chrome...)Show SMILES CCCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(OC)c(I)c1 Show InChI InChI=1S/C20H16I2O4/c1-3-6-16-17(19(24)12-7-4-5-8-15(12)26-16)18(23)11-9-13(21)20(25-2)14(22)10-11/h4-5,7-10H,3,6H2,1-2H3 | PDB
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| 44.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Binding affinity to CYP2C9 (unknown origin) |
Bioorg Med Chem 16: 4064-74 (2008)
Article DOI: 10.1016/j.bmc.2008.01.021
BindingDB Entry DOI: 10.7270/Q22N522D |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50101976
(ASARININ | Episesamin)Show SMILES C1Oc2ccc(cc2O1)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc2OCOc2c1 Show InChI InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20+/m0/s1 | PDB
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Toyama Prefectural University
Curated by ChEMBL
| Assay Description
Mechanism-based inhibition of recombinant human CYP2C9 expressed in microsomes isolated from Saccharomyces cerevisiae AH22 cells assessed as diclofen... |
Drug Metab Dispos 40: 1917-26 (2012)
Article DOI: 10.1124/dmd.112.045906
BindingDB Entry DOI: 10.7270/Q28G8NFN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090669
(4-Methyl-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfo...)Show InChI InChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-11-12-17-19(16)14-5-3-2-4-6-14/h2-12,18H,1H3 | PDB
MMDB
Reactome pathway
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PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme |
J Med Chem 43: 2789-96 (2000)
Article DOI: 10.1021/jm000048n
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408933
(CHEMBL2115265)Show InChI InChI=1S/C19H18O3/c1-3-14(13-9-5-4-6-10-13)17-18(20)15-11-7-8-12-16(15)22-19(17)21-2/h4-12,14H,3H2,1-2H3/t14-/m0/s1 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
Article DOI: 10.1021/jm000048n
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50408930
(CHEMBL2115266)Show SMILES C[C@@H](O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15+/m1/s1 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Binding affinity was measured on Cytochrome P450 2C9 |
J Med Chem 43: 2789-96 (2000)
Article DOI: 10.1021/jm000048n
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50343442
(CHEMBL1775179 | isopropyl 4-(1-(2-fluoro-4-(methyl...)Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1F)S(C)(=O)=O Show InChI InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 3134-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.007
BindingDB Entry DOI: 10.7270/Q24T6JQF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273444
(CHEMBL463976 | N-Phenyl-2-(pyridin-4-yl)quinoline-...)Show InChI InChI=1S/C21H15N3O/c25-21(23-16-6-2-1-3-7-16)18-14-20(15-10-12-22-13-11-15)24-19-9-5-4-8-17(18)19/h1-14H,(H,23,25) | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin) |
J Med Chem 51: 8000-11 (2008)
Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50232842
(3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-4H-chrome...)Show SMILES CCc1oc2ccccc2c(=O)c1C(=O)c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C18H12Br2O4/c1-2-13-15(17(22)10-5-3-4-6-14(10)24-13)16(21)9-7-11(19)18(23)12(20)8-9/h3-8,23H,2H2,1H3 | PDB
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PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Binding affinity to CYP2C9 (unknown origin) |
Bioorg Med Chem 16: 4064-74 (2008)
Article DOI: 10.1016/j.bmc.2008.01.021
BindingDB Entry DOI: 10.7270/Q22N522D |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50232842
(3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-4H-chrome...)Show SMILES CCc1oc2ccccc2c(=O)c1C(=O)c1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C18H12Br2O4/c1-2-13-15(17(22)10-5-3-4-6-14(10)24-13)16(21)9-7-11(19)18(23)12(20)8-9/h3-8,23H,2H2,1H3 | PDB
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| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 51: 648-54 (2008)
Article DOI: 10.1021/jm701130z
BindingDB Entry DOI: 10.7270/Q2M32VH2 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273393
(CHEMBL514730 | N-(Naphthalen-1-ylmethyl)-2-(pyridi...)Show SMILES O=C(NCc1cccc2ccccc12)c1cc(nc2ccccc12)-c1ccncc1 Show InChI InChI=1S/C26H19N3O/c30-26(28-17-20-8-5-7-18-6-1-2-9-21(18)20)23-16-25(19-12-14-27-15-13-19)29-24-11-4-3-10-22(23)24/h1-16H,17H2,(H,28,30) | PDB
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| 113 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Inhibition of purified CYP2C9 (unknown origin) |
J Med Chem 51: 8000-11 (2008)
Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273393
(CHEMBL514730 | N-(Naphthalen-1-ylmethyl)-2-(pyridi...)Show SMILES O=C(NCc1cccc2ccccc12)c1cc(nc2ccccc12)-c1ccncc1 Show InChI InChI=1S/C26H19N3O/c30-26(28-17-20-8-5-7-18-6-1-2-9-21(18)20)23-16-25(19-12-14-27-15-13-19)29-24-11-4-3-10-22(23)24/h1-16H,17H2,(H,28,30) | PDB
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| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin) |
J Med Chem 51: 8000-11 (2008)
Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50273394
(CHEMBL463577 | N-(Naphthalen-1-ylmethyl)-2-(pyridi...)Show SMILES O=C(NCc1cccc2ccccc12)c1cc(nc2ccccc12)-c1cccnc1 Show InChI InChI=1S/C26H19N3O/c30-26(28-17-19-9-5-8-18-7-1-2-11-21(18)19)23-15-25(20-10-6-14-27-16-20)29-24-13-4-3-12-22(23)24/h1-16H,17H2,(H,28,30) | PDB
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| 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Inhibition of reconstituted CYP2C9 (unknown origin) |
J Med Chem 51: 8000-11 (2008)
Article DOI: 10.1021/jm8011257
BindingDB Entry DOI: 10.7270/Q2K937CZ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50090677
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2 | PDB
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Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description
Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme |
J Med Chem 43: 2789-96 (2000)
Article DOI: 10.1021/jm000048n
BindingDB Entry DOI: 10.7270/Q2K64H9Q |
More data for this
Ligand-Target Pair | |
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