Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50397685'   

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))	BDBM50397685 (CHEMBL2181899) Show SMILES COCC(=O)N[C@@H](Cc1ccc(cc1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C31H41N3O4/c1-6-21-8-10-22(11-9-21)15-25(34-28(36)20-37-5)27(35)19-32-26-17-31(12-7-13-31)38-29-24(26)14-23(18-33-29)16-30(2,3)4/h1,8-11,14,18,25-27,32,35H,7,12-13,15-17,19-20H2,2-5H3,(H,34,36)/t25-,26-,27+/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	47	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))	BDBM50397685 (CHEMBL2181899) Show SMILES COCC(=O)N[C@@H](Cc1ccc(cc1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C31H41N3O4/c1-6-21-8-10-22(11-9-21)15-25(34-28(36)20-37-5)27(35)19-32-26-17-31(12-7-13-31)38-29-24(26)14-23(18-33-29)16-30(2,3)4/h1,8-11,14,18,25-27,32,35H,7,12-13,15-17,19-20H2,2-5H3,(H,34,36)/t25-,26-,27+/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	99	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