Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50231939'   

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))	BDBM50231939 (CHEMBL404144 | N1-((2S,3R)-4-(3-methoxybenzylamino...) Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2nc(C)oc2C)N(C)S(C)(=O)=O)c1 |w:32.34| Show InChI InChI=1S/C35H43N5O7S/c1-22(33-23(2)47-24(3)38-33)37-34(42)27-17-28(19-29(18-27)40(4)48(6,44)45)35(43)39-31(16-25-11-8-7-9-12-25)32(41)21-36-20-26-13-10-14-30(15-26)46-5/h7-15,17-19,22,31-32,36,41H,16,20-21H2,1-6H3,(H,37,42)(H,39,43)/t22?,31-,32+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	894	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to recombinant memapsin 2				Bioorg Med Chem Lett 18: 1031-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.028 BindingDB Entry DOI: 10.7270/Q2513XZC
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