Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50231676'   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50231676 (3-(ethylamino)-N-((2S,3R)-3-hydroxy-4-(1-(3-methox...) Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1(CCCCC1)c1cccc(OC)c1)N1CCCC1=O Show InChI InChI=1S/C36H46N4O4/c1-3-37-29-21-27(22-30(24-29)40-19-11-16-34(40)42)35(43)39-32(20-26-12-6-4-7-13-26)33(41)25-38-36(17-8-5-9-18-36)28-14-10-15-31(23-28)44-2/h4,6-7,10,12-15,21-24,32-33,37-38,41H,3,5,8-9,11,16-20,25H2,1-2H3,(H,39,43)/t32-,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 18: 1017-21 (2008) Article DOI: 10.1016/j.bmcl.2007.12.019 BindingDB Entry DOI: 10.7270/Q2J67GP2
					More data for this Ligand-Target Pair