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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 = 'BDBM231435'   
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))		BDBM231435
PNG
(US9346798, 182)
Show SMILES COc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O4S2/c1-28-16-10-12(19(20,21)22)2-4-14(16)25-7-8-29-17-11-13(3-5-15(17)25)31(26,27)24-18-23-6-9-30-18/h2-6,9-11H,7-8H2,1H3,(H,23,24)
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n/an/a 250n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH

J Med Chem 60: 5990-6017 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01850
BindingDB Entry DOI: 10.7270/Q2H1349F
More data for this
Ligand-Target Pair