Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50245654'   

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))	BDBM50245654 (CHEMBL4063960) Show SMILES COc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1 Show InChI InChI=1S/C18H17FN2OS/c1-22-14-6-12(8-20-9-14)10-21-5-4-15-16-7-13(19)2-3-17(16)23-18(15)11-21/h2-3,6-9H,4-5,10-11H2,1H3	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	6.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human hepatic CYP3A4				Eur J Med Chem 132: 157-172 (2017) Article DOI: 10.1016/j.ejmech.2017.03.037 BindingDB Entry DOI: 10.7270/Q2SB4858
					More data for this Ligand-Target Pair