Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NPC1-like intracellular cholesterol transporter 1' and Ligand = 'BDBM50332404'   

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
NPC1-like intracellular cholesterol transporter 1 (Homo sapiens (Human))	BDBM50332404 (2-(8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-tr...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)NCCO)C2=O)c1ccccc1 Show InChI InChI=1S/C28H36N4O4/c1-27(2,3)22-11-9-21(10-12-22)25(35)30-16-13-28(14-17-30)26(36)31(19-24(34)29-15-18-33)20-32(28)23-7-5-4-6-8-23/h4-12,33H,13-20H2,1-3H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [35S](2S,3S,4S,5R,6S)-6-(4-((2S,3R)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-1-(4-(3-(methylsulfonamido)prop-1-ynyl)phenyl)-4-oxoaz...				Bioorg Med Chem Lett 20: 6929-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.138 BindingDB Entry DOI: 10.7270/Q29K4BG6
					More data for this Ligand-Target Pair