Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50382413'   

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))	BDBM50382413 (CHEMBL2022571) Show SMILES Cc1[nH]nc(C(O)=O)c1Cc1cc2ccccc2s1 Show InChI InChI=1S/C14H12N2O2S/c1-8-11(13(14(17)18)16-15-8)7-10-6-9-4-2-3-5-12(9)19-10/h2-6H,7H2,1H3,(H,15,16)(H,17,18)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9				ACS Med Chem Lett 2: 919-923 (2011) Article DOI: 10.1021/ml2001938 BindingDB Entry DOI: 10.7270/Q2JM2BN6
					More data for this Ligand-Target Pair