Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50467108'   

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))	BDBM50467108 (CHEMBL4292052) Show SMILES CC1CC(C)CC(C1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F Show InChI InChI=1S/C17H19F3N2OS/c1-9-5-10(2)7-11(6-9)15(23)22-16-21-13-4-3-12(17(18,19)20)8-14(13)24-16/h3-4,8-11H,5-7H2,1-2H3,(H,21,22,23)	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