Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50481576'   

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
Presenilin-1 (Homo sapiens (Human))	BDBM50481576 (CHEMBL589658) Show SMILES COc1ccc(cc1)N1CCN(CC1(C)C)c1nc(Nc2cc(ccc2C)C(C)(C)C)cc(OCCC(C)(C)O)n1 Show InChI InChI=1S/C33H47N5O3/c1-23-10-11-24(31(2,3)4)20-27(23)34-28-21-29(41-19-16-33(7,8)39)36-30(35-28)37-17-18-38(32(5,6)22-37)25-12-14-26(40-9)15-13-25/h10-15,20-21,39H,16-19,22H2,1-9H3,(H,34,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated NotchdeltaE cleavage in human HeLa cells by luciferase assay				Bioorg Med Chem Lett 20: 1269-71 (2010) Article DOI: 10.1016/j.bmcl.2009.11.101 BindingDB Entry DOI: 10.7270/Q2H9981J
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