Found 6 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)) | BDBM50441246
(CHEMBL2431456)Show SMILES COc1c(CCc2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-c1ccc[nH]c1=O Show InChI InChI=1S/C25H30N2O4S/c1-25(2,3)22-16-19(21-7-6-14-26-24(21)28)15-18(23(22)31-4)11-8-17-9-12-20(13-10-17)27-32(5,29)30/h6-7,9-10,12-16,27H,8,11H2,1-5H3,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 56: 8163-82 (2013)
Article DOI: 10.1021/jm401266k
BindingDB Entry DOI: 10.7270/Q2WQ0574 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50441246
(CHEMBL2431456)Show SMILES COc1c(CCc2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-c1ccc[nH]c1=O Show InChI InChI=1S/C25H30N2O4S/c1-25(2,3)22-16-19(21-7-6-14-26-24(21)28)15-18(23(22)31-4)11-8-17-9-12-20(13-10-17)27-32(5,29)30/h6-7,9-10,12-16,27H,8,11H2,1-5H3,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 56: 8163-82 (2013)
Article DOI: 10.1021/jm401266k
BindingDB Entry DOI: 10.7270/Q2WQ0574 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441246
(CHEMBL2431456)Show SMILES COc1c(CCc2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-c1ccc[nH]c1=O Show InChI InChI=1S/C25H30N2O4S/c1-25(2,3)22-16-19(21-7-6-14-26-24(21)28)15-18(23(22)31-4)11-8-17-9-12-20(13-10-17)27-32(5,29)30/h6-7,9-10,12-16,27H,8,11H2,1-5H3,(H,26,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 56: 8163-82 (2013)
Article DOI: 10.1021/jm401266k
BindingDB Entry DOI: 10.7270/Q2WQ0574 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441245
(CHEMBL2431365)Show SMILES COc1c(\C=C\c2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-c1cc(F)c[nH]c1=O Show InChI InChI=1S/C25H27FN2O4S/c1-25(2,3)22-13-18(21-14-19(26)15-27-24(21)29)12-17(23(22)32-4)9-6-16-7-10-20(11-8-16)28-33(5,30)31/h6-15,28H,1-5H3,(H,27,29)/b9-6+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 56: 8163-82 (2013)
Article DOI: 10.1021/jm401266k
BindingDB Entry DOI: 10.7270/Q2WQ0574 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50441245
(CHEMBL2431365)Show SMILES COc1c(\C=C\c2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-c1cc(F)c[nH]c1=O Show InChI InChI=1S/C25H27FN2O4S/c1-25(2,3)22-13-18(21-14-19(26)15-27-24(21)29)12-17(23(22)32-4)9-6-16-7-10-20(11-8-16)28-33(5,30)31/h6-15,28H,1-5H3,(H,27,29)/b9-6+ | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 56: 8163-82 (2013)
Article DOI: 10.1021/jm401266k
BindingDB Entry DOI: 10.7270/Q2WQ0574 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50441245
(CHEMBL2431365)Show SMILES COc1c(\C=C\c2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-c1cc(F)c[nH]c1=O Show InChI InChI=1S/C25H27FN2O4S/c1-25(2,3)22-13-18(21-14-19(26)15-27-24(21)29)12-17(23(22)32-4)9-6-16-7-10-20(11-8-16)28-33(5,30)31/h6-15,28H,1-5H3,(H,27,29)/b9-6+ | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 56: 8163-82 (2013)
Article DOI: 10.1021/jm401266k
BindingDB Entry DOI: 10.7270/Q2WQ0574 |
More data for this
Ligand-Target Pair | |
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