Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50440359'   

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))	BDBM50440359 (CHEMBL2425155) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1nncn1C)C(C)(C)C Show InChI InChI=1S/C24H27N7O/c1-16-6-12-19(13-7-16)31-21(14-20(29-31)24(2,3)4)27-23(32)26-18-10-8-17(9-11-18)22-28-25-15-30(22)5/h6-15H,1-5H3,(H2,26,27,32)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
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