Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50376020'   

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 3A4 (Homo sapiens (Human))	BDBM50376020 (CHEMBL269915) Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccccn3)c2cc1OC Show InChI InChI=1S/C27H21N3O4/c1-32-24-15-21-22(16-25(24)33-2)28-13-11-23(21)34-18-9-10-19-17(14-18)6-5-7-20(19)27(31)30-26-8-3-4-12-29-26/h3-16H,1-2H3,(H,29,30,31)	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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 51: 1649-67 (2008) Article DOI: 10.1021/jm701097z BindingDB Entry DOI: 10.7270/Q29C6Z8N
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