Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50206861'   

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))	BDBM50206861 (CHEMBL3928420) Show SMILES CCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1 Show InChI InChI=1S/C20H23N7O/c1-4-15-5-6-16(12-23-15)28-8-7-22-20-17(11-21)13(2)9-18(25-20)24-19-10-14(3)26-27-19/h5-6,9-10,12H,4,7-8H2,1-3H3,(H3,22,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
CXS Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 26: 5860-5862 (2016) Article DOI: 10.1016/j.bmcl.2016.11.020 BindingDB Entry DOI: 10.7270/Q2WS8W80
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