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)) | BDBM50197894
(2-(2-(2-(4-fluorobenzyloxy)-5-bromophenyl)cyclopen...)Show SMILES OC(=O)c1ccnc(c1)C1=C(CCC1)c1cc(Br)ccc1OCc1ccc(F)cc1 |t:10| Show InChI InChI=1S/C24H19BrFNO3/c25-17-6-9-23(30-14-15-4-7-18(26)8-5-15)21(13-17)19-2-1-3-20(19)22-12-16(24(28)29)10-11-27-22/h4-13H,1-3,14H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 17: 385-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.041
BindingDB Entry DOI: 10.7270/Q22J6BGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50197895
(6-(2-(2-(2,4-difluorobenzyloxy)-5-chlorophenyl)cyc...)Show SMILES OC(=O)c1cnnc(c1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccc(F)cc1F |t:10| Show InChI InChI=1S/C23H17ClF2N2O3/c24-15-5-7-22(31-12-13-4-6-16(25)10-20(13)26)19(9-15)17-2-1-3-18(17)21-8-14(23(29)30)11-27-28-21/h4-11H,1-3,12H2,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 17: 385-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.041
BindingDB Entry DOI: 10.7270/Q22J6BGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50197897
(5-(2-(2-(4-fluorobenzyloxy)-5-chlorophenyl)cyclope...)Show SMILES Cc1ncc(cc1C(O)=O)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccc(F)cc1 |t:11| Show InChI InChI=1S/C25H21ClFNO3/c1-15-22(25(29)30)11-17(13-28-15)20-3-2-4-21(20)23-12-18(26)7-10-24(23)31-14-16-5-8-19(27)9-6-16/h5-13H,2-4,14H2,1H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 17: 385-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.041
BindingDB Entry DOI: 10.7270/Q22J6BGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50197896
(6-(2-(2-(2,4-difluorobenzyloxy)-5-chlorophenyl)cyc...)Show SMILES OC(=O)c1cncc(n1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccc(F)cc1F |t:10| Show InChI InChI=1S/C23H17ClF2N2O3/c24-14-5-7-22(31-12-13-4-6-15(25)9-19(13)26)18(8-14)16-2-1-3-17(16)20-10-27-11-21(28-20)23(29)30/h4-11H,1-3,12H2,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 17: 385-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.041
BindingDB Entry DOI: 10.7270/Q22J6BGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50197899
(5-(2-(2-(benzyloxy)-5-(trifluoromethyl)phenyl)cycl...)Show SMILES OC(=O)c1cncc(c1)C1=C(CCC1)c1cc(ccc1OCc1ccccc1)C(F)(F)F |t:10| Show InChI InChI=1S/C25H20F3NO3/c26-25(27,28)19-9-10-23(32-15-16-5-2-1-3-6-16)22(12-19)21-8-4-7-20(21)17-11-18(24(30)31)14-29-13-17/h1-3,5-6,9-14H,4,7-8,15H2,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 17: 385-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.041
BindingDB Entry DOI: 10.7270/Q22J6BGF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50197898
(6-(2-(2-(2,4-difluorobenzyloxy)-5-chlorophenyl)cyc...)Show SMILES OC(=O)c1cccc(n1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccc(F)cc1F |t:10| Show InChI InChI=1S/C24H18ClF2NO3/c25-15-8-10-23(31-13-14-7-9-16(26)12-20(14)27)19(11-15)17-3-1-4-18(17)21-5-2-6-22(28-21)24(29)30/h2,5-12H,1,3-4,13H2,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 17: 385-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.041
BindingDB Entry DOI: 10.7270/Q22J6BGF |
More data for this
Ligand-Target Pair | |
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