Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50196734'   

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))	BDBM50196734 (CHEMBL409947 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...) Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C31H41F2N5O5S/c1-4-6-10-44(42,43)19-28(36-30(40)27-11-20(3)37-38-27)31(41)35-26(15-23-13-24(32)16-25(33)14-23)29(39)18-34-17-22-9-7-8-21(5-2)12-22/h7-9,11-14,16,26,28-29,34,39H,4-6,10,15,17-19H2,1-3H3,(H,35,41)(H,36,40)(H,37,38)/t26-,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	4	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))	BDBM50196734 (CHEMBL409947 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...) Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C31H41F2N5O5S/c1-4-6-10-44(42,43)19-28(36-30(40)27-11-20(3)37-38-27)31(41)35-26(15-23-13-24(32)16-25(33)14-23)29(39)18-34-17-22-9-7-8-21(5-2)12-22/h7-9,11-14,16,26,28-29,34,39H,4-6,10,15,17-19H2,1-3H3,(H,35,41)(H,36,40)(H,37,38)/t26-,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	4	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