Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50316864'   

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))	BDBM50316864 (CHEMBL1099361 | [(2R,4S,5S)-5-(N-Boc-L-leucyl-L-ph...) Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C34H58N4O6/c1-21(2)16-26(29(39)18-24(7)30(40)35-20-23(5)6)36-32(42)28(19-25-14-12-11-13-15-25)37-31(41)27(17-22(3)4)38-33(43)44-34(8,9)10/h11-15,21-24,26-29,39H,16-20H2,1-10H3,(H,35,40)(H,36,42)(H,37,41)(H,38,43)/t24-,26+,27+,28+,29+/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	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
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