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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 = 'BDBM50263363'   
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))		BDBM50263363
PNG
(CHEMBL476557 | N-(2-(bis(3-fluorophenyl)methylamin...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C22H17F3N2O2/c23-17-9-7-14(8-10-17)22(29)26-13-20(28)27-21(15-3-1-5-18(24)11-15)16-4-2-6-19(25)12-16/h1-12,21H,13H2,(H,26,29)(H,27,28)
PDB
MMDB

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Article
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9

Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair