Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50372185'   

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))	BDBM50372185 (CHEMBL256372) 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)OCCN(C)C Show InChI InChI=1S/C33H48F2N4O4/c1-6-10-39(11-7-2)33(42)25-15-22(3)14-24(19-25)32(41)37-30(18-23-16-26(34)20-27(35)17-23)31(40)29-21-28(8-9-36-29)43-13-12-38(4)5/h14-17,19-20,28-31,36,40H,6-13,18,21H2,1-5H3,(H,37,41)/t28-,29+,30-,31+/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	26	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))	BDBM50372185 (CHEMBL256372) 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)OCCN(C)C Show InChI InChI=1S/C33H48F2N4O4/c1-6-10-39(11-7-2)33(42)25-15-22(3)14-24(19-25)32(41)37-30(18-23-16-26(34)20-27(35)17-23)31(40)29-21-28(8-9-36-29)43-13-12-38(4)5/h14-17,19-20,28-31,36,40H,6-13,18,21H2,1-5H3,(H,37,41)/t28-,29+,30-,31+/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	482	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