Found 3 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)) | BDBM50181559
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12 |t:3| Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 19: 4350-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.091
BindingDB Entry DOI: 10.7270/Q2V69JQW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50310444
((R)-2-{3-[1-(2-Cyclopropyl-ethyl)-6-fluoro-4-hydro...)Show SMILES C[C@@H](Oc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cc(F)ccc2n(CCC2CC2)c1=O)C(N)=O |r,c:7| Show InChI InChI=1S/C24H23FN4O6S/c1-12(22(26)31)35-15-5-6-17-19(11-15)36(33,34)28-23(27-17)20-21(30)16-10-14(25)4-7-18(16)29(24(20)32)9-8-13-2-3-13/h4-7,10-13,30H,2-3,8-9H2,1H3,(H2,26,31)(H,27,28)/t12-/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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 19: 4350-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.091
BindingDB Entry DOI: 10.7270/Q2V69JQW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50310443
(2-{3-[1-(2-Cyclopropyl-ethyl)-6-fluoro-4-hydroxy-2...)Show SMILES NC(=O)COc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cc(F)ccc2n(CCC2CC2)c1=O |c:9| Show InChI InChI=1S/C23H21FN4O6S/c24-13-3-6-17-15(9-13)21(30)20(23(31)28(17)8-7-12-1-2-12)22-26-16-5-4-14(34-11-19(25)29)10-18(16)35(32,33)27-22/h3-6,9-10,12,30H,1-2,7-8,11H2,(H2,25,29)(H,26,27) | 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 | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 19: 4350-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.091
BindingDB Entry DOI: 10.7270/Q2V69JQW |
More data for this
Ligand-Target Pair | |
Search and Browse
