Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50175300'   

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))	BDBM50175300 (CHEMBL3810414) Show SMILES Cc1cccc(c1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H19N5O3S/c1-13-4-3-5-14(8-13)21(2,29)20-22-10-17(25-20)26-7-6-15(9-18(26)27)24-19(28)16-11-30-12-23-16/h3-12,29H,1-2H3,(H,22,25)(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 7: 525-30 (2016) Article DOI: 10.1021/acsmedchemlett.6b00064 BindingDB Entry DOI: 10.7270/Q24B337T
					More data for this Ligand-Target Pair