Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50372194'   

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))	BDBM50372194 (CHEMBL428074) 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](Cc2ccc(OC)cc2)CCN1 Show InChI InChI=1S/C37H47F2N3O4/c1-5-13-42(14-6-2)37(45)29-16-24(3)15-28(22-29)36(44)41-34(21-27-18-30(38)23-31(39)19-27)35(43)33-20-26(11-12-40-33)17-25-7-9-32(46-4)10-8-25/h7-10,15-16,18-19,22-23,26,33-35,40,43H,5-6,11-14,17,20-21H2,1-4H3,(H,41,44)/t26-,33-,34+,35-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	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))	BDBM50372194 (CHEMBL428074) 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](Cc2ccc(OC)cc2)CCN1 Show InChI InChI=1S/C37H47F2N3O4/c1-5-13-42(14-6-2)37(45)29-16-24(3)15-28(22-29)36(44)41-34(21-27-18-30(38)23-31(39)19-27)35(43)33-20-26(11-12-40-33)17-25-7-9-32(46-4)10-8-25/h7-10,15-16,18-19,22-23,26,33-35,40,43H,5-6,11-14,17,20-21H2,1-4H3,(H,41,44)/t26-,33-,34+,35-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	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