Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50138599'   

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))	BDBM50138599 (CHEMBL154751 | N-(2,6-Dimethyl-phenyl)-2-{4-[(R)-2...) Show SMILES Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)ccc2s1 Show InChI InChI=1S/C25H32N4O3S/c1-17-5-4-6-18(2)25(17)27-24(31)15-29-11-9-28(10-12-29)14-20(30)16-32-21-7-8-23-22(13-21)26-19(3)33-23/h4-8,13,20,30H,9-12,14-16H2,1-3H3,(H,27,31)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 2C9 of isolated guinea pig heart				Bioorg Med Chem Lett 14: 549-52 (2003) BindingDB Entry DOI: 10.7270/Q2GH9HD4
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