Found 8 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)) | 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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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)) | 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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 | |
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