Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50506942'   

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))	BDBM50506942 (CHEMBL4454552) Show SMILES CCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1 Show InChI InChI=1S/C21H20N2O2/c1-2-25-20-5-3-4-16(14-20)15-23-21(24)19-8-6-17(7-9-19)18-10-12-22-13-11-18/h3-14H,2,15H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal 4His-tagged CYP3A4 (unknown origin) expressed in Escherichia coli by spectrophotometric analysis				J Med Chem 61: 11074-11100 (2018) Article DOI: 10.1021/acs.jmedchem.8b01098 BindingDB Entry DOI: 10.7270/Q2RB77XJ
					More data for this Ligand-Target Pair