Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50397693'   

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))	BDBM50397693 (CHEMBL2181891) Show SMILES COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccn1C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C33H45N5O4/c1-32(2,3)17-23-15-25-27(18-33(10-7-11-33)42-31(25)36-19-23)35-20-28(39)26(37-29(40)21-41-5)16-22-8-6-9-24(14-22)30-34-12-13-38(30)4/h6,8-9,12-15,19,26-28,35,39H,7,10-11,16-18,20-21H2,1-5H3,(H,37,40)/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	5.5	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50397693 (CHEMBL2181891) Show SMILES COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccn1C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C33H45N5O4/c1-32(2,3)17-23-15-25-27(18-33(10-7-11-33)42-31(25)36-19-23)35-20-28(39)26(37-29(40)21-41-5)16-22-8-6-9-24(14-22)30-34-12-13-38(30)4/h6,8-9,12-15,19,26-28,35,39H,7,10-11,16-18,20-21H2,1-5H3,(H,37,40)/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	64	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