Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50330749'   

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))	BDBM50330749 (1-(11'H-Spiro[cyclopentane-1,10'-dibenzo[b,f]oxepi...) Show SMILES OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 Show InChI InChI=1S/C22H23NO3/c24-21(25)16-13-23(14-16)17-9-10-22(12-17)11-15-5-1-3-7-19(15)26-20-8-4-2-6-18(20)22/h1-8,16-17H,9-14H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 transfected in bactosome expression system by spectrofluorometry				J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
					More data for this Ligand-Target Pair