Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50384465'   

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))	BDBM50384465 (CHEMBL2036211) Show SMILES CCCCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H19F4N5O/c1-2-3-4-18(30)29(12-13-5-7-15(8-6-13)20(22,23)24)17-10-14(9-16(21)11-17)19-25-27-28-26-19/h5-11H,2-4,12H2,1H3,(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 938-942 (2011) Article DOI: 10.1021/ml200223s BindingDB Entry DOI: 10.7270/Q2Z89DGQ
					More data for this Ligand-Target Pair