Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50372184'   

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))	BDBM50372184 (CHEMBL402276) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC1CCCCC1 Show InChI InChI=1S/C36H51F2N3O4/c1-4-13-41(14-5-2)36(44)28-16-24(3)15-27(20-28)35(43)40-33(19-26-17-29(37)21-30(38)18-26)34(42)32-22-31(11-12-39-32)45-23-25-9-7-6-8-10-25/h15-18,20-21,25,31-34,39,42H,4-14,19,22-23H2,1-3H3,(H,40,43)/t31-,32+,33-,34+/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 414-7 (2008) Article DOI: 10.1016/j.bmcl.2007.10.116 BindingDB Entry DOI: 10.7270/Q2RV0PJH
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50372184 (CHEMBL402276) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC1CCCCC1 Show InChI InChI=1S/C36H51F2N3O4/c1-4-13-41(14-5-2)36(44)28-16-24(3)15-27(20-28)35(43)40-33(19-26-17-29(37)21-30(38)18-26)34(42)32-22-31(11-12-39-32)45-23-25-9-7-6-8-10-25/h15-18,20-21,25,31-34,39,42H,4-14,19,22-23H2,1-3H3,(H,40,43)/t31-,32+,33-,34+/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	567	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human BACE1 assessed as amyloid beta 40 production in human HEK293 cells by ELISA				Bioorg Med Chem Lett 18: 414-7 (2008) Article DOI: 10.1016/j.bmcl.2007.10.116 BindingDB Entry DOI: 10.7270/Q2RV0PJH
					More data for this Ligand-Target Pair