Found 12 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416320
(CHEMBL1170483)Show SMILES Fc1cccc(CCc2nc(=O)c3ccccc3n2CC(=O)N(Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C2CCN(CC2)c2ccncn2)c1F Show InChI InChI=1S/C41H35F5N6O2/c42-34-6-3-4-30(39(34)43)14-17-37-49-40(54)33-5-1-2-7-35(33)52(37)25-38(53)51(32-19-22-50(23-20-32)36-18-21-47-26-48-36)24-27-8-10-28(11-9-27)29-12-15-31(16-13-29)41(44,45)46/h1-13,15-16,18,21,26,32H,14,17,19-20,22-25H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 17: 5906-19 (2009)
Article DOI: 10.1016/j.bmc.2009.07.002
BindingDB Entry DOI: 10.7270/Q2Z039DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416324
(CHEMBL1170481)Show SMILES Fc1cccc(CCc2nc(=O)c3cccnc3n2CC(=O)N(Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C2CCN(CC2)c2ccncn2)c1F Show InChI InChI=1S/C40H34F5N7O2/c41-33-5-1-3-29(37(33)42)12-15-35-49-39(54)32-4-2-19-47-38(32)52(35)24-36(53)51(31-17-21-50(22-18-31)34-16-20-46-25-48-34)23-26-6-8-27(9-7-26)28-10-13-30(14-11-28)40(43,44)45/h1-11,13-14,16,19-20,25,31H,12,15,17-18,21-24H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 17: 5906-19 (2009)
Article DOI: 10.1016/j.bmc.2009.07.002
BindingDB Entry DOI: 10.7270/Q2Z039DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416313
(CHEMBL1170305)Show SMILES Cc1c(nc2ccccc2c1C(=O)N[C@H](C1CC1)c1cccc(F)c1)-c1ccccc1 |r| Show InChI InChI=1S/C27H23FN2O/c1-17-24(27(31)30-26(19-14-15-19)20-10-7-11-21(28)16-20)22-12-5-6-13-23(22)29-25(17)18-8-3-2-4-9-18/h2-13,16,19,26H,14-15H2,1H3,(H,30,31)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 17: 5906-19 (2009)
Article DOI: 10.1016/j.bmc.2009.07.002
BindingDB Entry DOI: 10.7270/Q2Z039DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416317
(CHEMBL1171887)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc(F)c(c2)-c2cncnc2)CC1 Show InChI InChI=1S/C26H26FN5/c1-19-5-7-22-25(30-19)3-2-4-26(22)32-13-11-31(12-14-32)10-9-20-6-8-24(27)23(15-20)21-16-28-18-29-17-21/h2-8,15-18H,9-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 17: 5906-19 (2009)
Article DOI: 10.1016/j.bmc.2009.07.002
BindingDB Entry DOI: 10.7270/Q2Z039DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416321
(CHEMBL1170958)Show SMILES Fc1cccc(c1)[C@H](NC(=O)c1c(Cc2cncnc2)c(nc2ccccc12)-c1ccccc1)C1CC1 |r| Show InChI InChI=1S/C31H25FN4O/c32-24-10-6-9-23(16-24)29(22-13-14-22)36-31(37)28-25-11-4-5-12-27(25)35-30(21-7-2-1-3-8-21)26(28)15-20-17-33-19-34-18-20/h1-12,16-19,22,29H,13-15H2,(H,36,37)/t29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 17: 5906-19 (2009)
Article DOI: 10.1016/j.bmc.2009.07.002
BindingDB Entry DOI: 10.7270/Q2Z039DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416319
(CHEMBL1170482)Show SMILES Fc1cccc(CCc2nc(=O)c3ccccc3n2CC(=O)N(Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C2CCNCC2)c1F Show InChI InChI=1S/C37H33F5N4O2/c38-31-6-3-4-27(35(31)39)14-17-33-44-36(48)30-5-1-2-7-32(30)46(33)23-34(47)45(29-18-20-43-21-19-29)22-24-8-10-25(11-9-24)26-12-15-28(16-13-26)37(40,41)42/h1-13,15-16,29,43H,14,17-23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 17: 5906-19 (2009)
Article DOI: 10.1016/j.bmc.2009.07.002
BindingDB Entry DOI: 10.7270/Q2Z039DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416318
(CHEMBL1170480)Show SMILES Fc1cccc(CCc2nc(=O)c3cccnc3n2CC(=O)N(Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C2CCNCC2)c1F Show InChI InChI=1S/C36H32F5N5O2/c37-30-5-1-3-26(33(30)38)12-15-31-44-35(48)29-4-2-18-43-34(29)46(31)22-32(47)45(28-16-19-42-20-17-28)21-23-6-8-24(9-7-23)25-10-13-27(14-11-25)36(39,40)41/h1-11,13-14,18,28,42H,12,15-17,19-22H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 17: 5906-19 (2009)
Article DOI: 10.1016/j.bmc.2009.07.002
BindingDB Entry DOI: 10.7270/Q2Z039DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416314
(CHEMBL1171894)Show SMILES C[C@H](NC(=O)c1c(C)c(nc2ccccc12)-c1cccs1)C1CCCCC1 |r| Show InChI InChI=1S/C23H26N2OS/c1-15-21(23(26)24-16(2)17-9-4-3-5-10-17)18-11-6-7-12-19(18)25-22(15)20-13-8-14-27-20/h6-8,11-14,16-17H,3-5,9-10H2,1-2H3,(H,24,26)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 17: 5906-19 (2009)
Article DOI: 10.1016/j.bmc.2009.07.002
BindingDB Entry DOI: 10.7270/Q2Z039DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416316
(CHEMBL1171708)Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)-c2cncnc2)CC1 Show InChI InChI=1S/C26H27N5/c1-20-8-9-24-25(29-20)6-3-7-26(24)31-14-12-30(13-15-31)11-10-21-4-2-5-22(16-21)23-17-27-19-28-18-23/h2-9,16-19H,10-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 17: 5906-19 (2009)
Article DOI: 10.1016/j.bmc.2009.07.002
BindingDB Entry DOI: 10.7270/Q2Z039DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416323
(CHEMBL1171709)Show InChI InChI=1S/C22H24FN3/c1-17-5-10-20-21(24-17)3-2-4-22(20)26-15-13-25(14-16-26)12-11-18-6-8-19(23)9-7-18/h2-10H,11-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 17: 5906-19 (2009)
Article DOI: 10.1016/j.bmc.2009.07.002
BindingDB Entry DOI: 10.7270/Q2Z039DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416322
(CHEMBL1171895)Show SMILES C[C@H](NC(=O)c1c(Cc2cncnc2)c(nc2ccccc12)-c1cccs1)C1CCCCC1 |r| Show InChI InChI=1S/C27H28N4OS/c1-18(20-8-3-2-4-9-20)30-27(32)25-21-10-5-6-11-23(21)31-26(24-12-7-13-33-24)22(25)14-19-15-28-17-29-16-19/h5-7,10-13,15-18,20H,2-4,8-9,14H2,1H3,(H,30,32)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 17: 5906-19 (2009)
Article DOI: 10.1016/j.bmc.2009.07.002
BindingDB Entry DOI: 10.7270/Q2Z039DJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416315
(CHEMBL1171896)Show InChI InChI=1S/C22H25N3/c1-18-10-11-20-21(23-18)8-5-9-22(20)25-16-14-24(15-17-25)13-12-19-6-3-2-4-7-19/h2-11H,12-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 17: 5906-19 (2009)
Article DOI: 10.1016/j.bmc.2009.07.002
BindingDB Entry DOI: 10.7270/Q2Z039DJ |
More data for this
Ligand-Target Pair | |
Search and Browse
