Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM191883'   

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))	BDBM191883 (US9187429, 9) Show SMILES CC(C)C(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N Show InChI InChI=1S/C20H21N3O/c1-13(2)20(24)23-19-5-3-4-16-17(11-22-12-18(16)19)15-8-6-14(10-21)7-9-15/h6-9,11-13,19H,3-5H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development (pRED) Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 58: 8054-65 (2015) Article DOI: 10.1021/acs.jmedchem.5b00851 BindingDB Entry DOI: 10.7270/Q2K0763C
					More data for this Ligand-Target Pair