Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM50504115'   

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))	BDBM50504115 (CHEMBL4470176) Show SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1 Show InChI InChI=1S/C29H34ClN5O2/c1-33(2)10-11-34-12-14-35(15-13-34)19-20-16-22(5-9-28(20)36)31-29-24-7-4-21(30)17-27(24)32-26-8-6-23(37-3)18-25(26)29/h4-9,16-18,36H,10-15,19H2,1-3H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 62: 7684-7696 (2019) Article DOI: 10.1021/acs.jmedchem.9b00326 BindingDB Entry DOI: 10.7270/Q2FX7DRF
					More data for this Ligand-Target Pair