Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50301829'   

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))	BDBM50301829 (2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,...) Show SMILES COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1OC Show InChI InChI=1S/C21H31NO6/c1-20(14-21(28-27-20)8-6-5-7-9-21)12-18(23)22-13-15-10-16(24-2)19(26-4)17(11-15)25-3/h10-11H,5-9,12-14H2,1-4H3,(H,22,23)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Infectious Diseases Initiative Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 5657-60 (2009) Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX
					More data for this Ligand-Target Pair