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SMILES: Fc1cc(ccc1CC(=O)N1CCCC1)-n1nc(c2CCCCc12)C(F)(F)F

InChI Key: InChIKey=LDPUPYCJAUQZJN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50334944   
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))		BDBM50334944
PNG
(1-{3-Fluoro-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]pheny...)
Show SMILES Fc1cc(ccc1CC(=O)N1CCCC1)-n1nc(c2CCCCc12)C(F)(F)F
Show InChI InChI=1S/C20H21F4N3O/c21-16-12-14(8-7-13(16)11-18(28)26-9-3-4-10-26)27-17-6-2-1-5-15(17)19(25-27)20(22,23)24/h7-8,12H,1-6,9-11H2
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Similars
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 by fluorescence assay

J Med Chem 54: 78-94 (2011)


Article DOI: 10.1021/jm100679e
BindingDB Entry DOI: 10.7270/Q21C1XVG
More data for this
Ligand-Target Pair