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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Monomerid = 50301735   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S
More data for this
Ligand-Target Pair