Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50022077'   

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))	BDBM50022077 (CHEMBL3109797) Show SMILES CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H27ClFN5O/c1-2-24-26(34-12-11-20(28)17-25(34)31-24)27(35)30-18-19-3-7-22(8-4-19)32-13-15-33(16-14-32)23-9-5-21(29)6-10-23/h3-12,17H,2,13-16,18H2,1H3,(H,30,35)	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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Korea Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C9 (unknown origin) by LC/MS/MS analysis				J Med Chem 57: 5293-305 (2014) Article DOI: 10.1021/jm5003606 BindingDB Entry DOI: 10.7270/Q2WS8VTR
					More data for this Ligand-Target Pair