Found 7 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)) | BDBM50271507
(2-(3-(2-(2-chloro-4-hydroxyphenyl)thiazol-4-yl)pro...)Show SMILES OC(=O)c1ccccc1NC(=O)CCc1csc(n1)-c1ccc(O)cc1Cl Show InChI InChI=1S/C19H15ClN2O4S/c20-15-9-12(23)6-7-13(15)18-21-11(10-27-18)5-8-17(24)22-16-4-2-1-3-14(16)19(25)26/h1-4,6-7,9-10,23H,5,8H2,(H,22,24)(H,25,26) | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 18: 3163-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.071
BindingDB Entry DOI: 10.7270/Q2FJ2GJW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50271507
(2-(3-(2-(2-chloro-4-hydroxyphenyl)thiazol-4-yl)pro...)Show SMILES OC(=O)c1ccccc1NC(=O)CCc1csc(n1)-c1ccc(O)cc1Cl Show InChI InChI=1S/C19H15ClN2O4S/c20-15-9-12(23)6-7-13(15)18-21-11(10-27-18)5-8-17(24)22-16-4-2-1-3-14(16)19(25)26/h1-4,6-7,9-10,23H,5,8H2,(H,22,24)(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 18: 3163-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.071
BindingDB Entry DOI: 10.7270/Q2FJ2GJW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50271508
(2-(3-(2-(2-chloro-4-hydroxyphenyl)thiazol-4-yl)but...)Show SMILES CC(CC(=O)NC1=C(CCCC1)C(O)=O)c1csc(n1)-c1ccc(O)cc1Cl |t:6| Show InChI InChI=1S/C20H21ClN2O4S/c1-11(8-18(25)22-16-5-3-2-4-14(16)20(26)27)17-10-28-19(23-17)13-7-6-12(24)9-15(13)21/h6-7,9-11,24H,2-5,8H2,1H3,(H,22,25)(H,26,27) | 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 | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 18: 3163-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.071
BindingDB Entry DOI: 10.7270/Q2FJ2GJW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM23526
(2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...)Show SMILES Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cc1 Show InChI InChI=1S/C20H19N3O4/c1-13-14(12-21-23(13)15-7-9-16(24)10-8-15)6-11-19(25)22-18-5-3-2-4-17(18)20(26)27/h2-5,7-10,12,24H,6,11H2,1H3,(H,22,25)(H,26,27) | 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 | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 18: 3163-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.071
BindingDB Entry DOI: 10.7270/Q2FJ2GJW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM23526
(2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...)Show SMILES Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cc1 Show InChI InChI=1S/C20H19N3O4/c1-13-14(12-21-23(13)15-7-9-16(24)10-8-15)6-11-19(25)22-18-5-3-2-4-17(18)20(26)27/h2-5,7-10,12,24H,6,11H2,1H3,(H,22,25)(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 18: 3163-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.071
BindingDB Entry DOI: 10.7270/Q2FJ2GJW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50271463
((R)-2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-...)Show SMILES C[C@H](Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)NC1=C(CCCC1)C(O)=O |r,t:21| Show InChI InChI=1S/C21H25N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h7-10,12-13,25H,3-6,11H2,1-2H3,(H,23,26)(H,27,28)/t13-/m1/s1 | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 18: 3163-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.071
BindingDB Entry DOI: 10.7270/Q2FJ2GJW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50271463
((R)-2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-...)Show SMILES C[C@H](Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)NC1=C(CCCC1)C(O)=O |r,t:21| Show InChI InChI=1S/C21H25N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h7-10,12-13,25H,3-6,11H2,1-2H3,(H,23,26)(H,27,28)/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 18: 3163-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.071
BindingDB Entry DOI: 10.7270/Q2FJ2GJW |
More data for this
Ligand-Target Pair | |
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