Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50441502'   

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))	BDBM50441502 (CHEMBL2436629) Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccccc3C2)ccn1 Show InChI InChI=1S/C25H32FN5O/c26-25(8-13-29(14-9-25)16-19-5-10-28-23(27)15-19)24(32)30-11-6-22(7-12-30)31-17-20-3-1-2-4-21(20)18-31/h1-5,10,15,22H,6-9,11-14,16-18H2,(H2,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 23: 6004-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.013 BindingDB Entry DOI: 10.7270/Q2FJ2J67
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