Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50196738'   

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))	BDBM50196738 (2-acetamidoethyl (S)-1-((2S,3R)-4-(3-ethylbenzylam...) Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)OCCNC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C31H44F2N4O7S/c1-4-6-12-45(42,43)20-28(37-31(41)44-11-10-35-21(3)38)30(40)36-27(16-24-14-25(32)17-26(33)15-24)29(39)19-34-18-23-9-7-8-22(5-2)13-23/h7-9,13-15,17,27-29,34,39H,4-6,10-12,16,18-20H2,1-3H3,(H,35,38)(H,36,40)(H,37,41)/t27-,28+,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE				Bioorg Med Chem Lett 17: 78-81 (2006) Article DOI: 10.1016/j.bmcl.2006.09.091 BindingDB Entry DOI: 10.7270/Q22N51X6
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50196738 (2-acetamidoethyl (S)-1-((2S,3R)-4-(3-ethylbenzylam...) Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)OCCNC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C31H44F2N4O7S/c1-4-6-12-45(42,43)20-28(37-31(41)44-11-10-35-21(3)38)30(40)36-27(16-24-14-25(32)17-26(33)15-24)29(39)19-34-18-23-9-7-8-22(5-2)13-23/h7-9,13-15,17,27-29,34,39H,4-6,10-12,16,18-20H2,1-3H3,(H,35,38)(H,36,40)(H,37,41)/t27-,28+,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE expressed in HEK293 cells				Bioorg Med Chem Lett 17: 78-81 (2006) Article DOI: 10.1016/j.bmcl.2006.09.091 BindingDB Entry DOI: 10.7270/Q22N51X6
					More data for this Ligand-Target Pair