Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50467106'   

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))	BDBM50467106 (CHEMBL4287884) Show SMILES CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 Show InChI InChI=1S/C18H21F3N2O2S/c1-10-6-11(9-17(2,3)8-10)15(24)23-16-22-13-5-4-12(7-14(13)26-16)25-18(19,20)21/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Crestone, Inc Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 28: 3177-3181 (2018) Article DOI: 10.1016/j.bmcl.2018.08.026 BindingDB Entry DOI: 10.7270/Q29G5QHJ
					More data for this Ligand-Target Pair