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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50295548'   
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))
BDBM50295548
PNG
(CHEMBL551921 | N-(2-phenylcyclopropyl)-4-(3-(quino...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Show InChI InChI=1/C26H25N5O2/c32-26(28-23-16-20(23)17-6-2-1-3-7-17)31-14-12-19(13-15-31)25-29-24(30-33-25)22-11-10-18-8-4-5-9-21(18)27-22/h1-11,19-20,23H,12-16H2,(H,28,32)
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MMDB

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Similars

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair