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BDBM50171275 (+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2(1H)-one::(-)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2(1H)-one::4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-1-methyl-6-trifluoromethyl-1H-quinolin-2-one::4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2(1H)-one::CHEMBL381679

SMILES: Cn1c2ccc(cc2c(-c2cc(Cl)ccc2O)c(CCO)c1=O)C(F)(F)F

InChI Key: InChIKey=MBTCZBZTIMYUQY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50171275   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50171275
PNG
((+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl...)
Show SMILES Cn1c2ccc(cc2c(-c2cc(Cl)ccc2O)c(CCO)c1=O)C(F)(F)F |(.08,2.61,;.08,1.07,;-1.25,.3,;-2.58,1.07,;-3.91,.3,;-3.91,-1.24,;-2.58,-2.01,;-1.25,-1.24,;.08,-2.01,;.08,-3.55,;-1.25,-4.32,;-1.25,-5.86,;-2.61,-6.66,;.08,-6.63,;1.41,-5.86,;1.41,-4.32,;2.76,-3.53,;1.43,-1.24,;2.76,-1.99,;4.06,-1.14,;5.44,-1.83,;1.42,.3,;2.76,1.07,;-5.27,-2.01,;-6.6,-2.81,;-6.04,-.68,;-4.47,-3.37,)|
Show InChI InChI=1S/C19H15ClF3NO3/c1-24-15-4-2-10(19(21,22)23)8-13(15)17(12(6-7-25)18(24)27)14-9-11(20)3-5-16(14)26/h2-5,8-9,25-26H,6-7H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cytochrome P450 2C9

Bioorg Med Chem Lett 15: 4286-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.056
BindingDB Entry DOI: 10.7270/Q2K64HMR
More data for this
Ligand-Target Pair