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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 = 50224181   
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))
BDBM50224181
PNG
(1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C30H43ClN4O2/c1-21(2)29(32-28(36)13-14-33(5)6)26-19-22(3)7-12-27(26)34-15-17-35(18-16-34)30(37)23(4)20-24-8-10-25(31)11-9-24/h7-12,19,21,23,29H,13-18,20H2,1-6H3,(H,32,36)/t23-,29+/m1/s1
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Similars

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



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 50: 5249-52 (2007)


Article DOI: 10.1021/jm070806a
BindingDB Entry DOI: 10.7270/Q29C6X6B
More data for this
Ligand-Target Pair