Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50344164'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50344164 ((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclobutaneca...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H27FN2O3/c1-28(25(32)26(13-4-14-26)17-7-9-18(27)10-8-17)19-11-12-23-21(15-24(30)31)20-5-2-3-6-22(20)29(23)16-19/h2-3,5-10,19H,4,11-16H2,1H3,(H,30,31)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 3471-4 (2011) Article DOI: 10.1016/j.bmcl.2011.03.085 BindingDB Entry DOI: 10.7270/Q2T72HSR
					More data for this Ligand-Target Pair