Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50397689'   

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))	BDBM50397689 (CHEMBL2181895) Show SMILES COCC(=O)N[C@@H](Cc1cccc(c1)-c1nc(C)cs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C33H44N4O4S/c1-21-20-42-31(36-21)24-9-6-8-22(12-24)14-26(37-29(39)19-40-5)28(38)18-34-27-16-33(10-7-11-33)41-30-25(27)13-23(17-35-30)15-32(2,3)4/h6,8-9,12-13,17,20,26-28,34,38H,7,10-11,14-16,18-19H2,1-5H3,(H,37,39)/t26-,27-,28+/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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...				J Med Chem 55: 9025-44 (2012) Article DOI: 10.1021/jm300118s BindingDB Entry DOI: 10.7270/Q298885R
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50397689 (CHEMBL2181895) Show SMILES COCC(=O)N[C@@H](Cc1cccc(c1)-c1nc(C)cs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C33H44N4O4S/c1-21-20-42-31(36-21)24-9-6-8-22(12-24)14-26(37-29(39)19-40-5)28(38)18-34-27-16-33(10-7-11-33)41-30-25(27)13-23(17-35-30)15-32(2,3)4/h6,8-9,12-13,17,20,26-28,34,38H,7,10-11,14-16,18-19H2,1-5H3,(H,37,39)/t26-,27-,28+/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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta 40 production after overnight incubati...				J Med Chem 55: 9025-44 (2012) Article DOI: 10.1021/jm300118s BindingDB Entry DOI: 10.7270/Q298885R
					More data for this Ligand-Target Pair