Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50328786'   

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))	BDBM50328786 (CHEMBL1269840 | N-((2S,3R)-4-(4-(3-(1H-pyrazol-1-y...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C26H30F2N4O3/c1-18(33)31-24(14-19-12-21(27)16-22(28)13-19)25(34)17-29-26(6-10-35-11-7-26)20-4-2-5-23(15-20)32-9-3-8-30-32/h2-5,8-9,12-13,15-16,24-25,29,34H,6-7,10-11,14,17H2,1H3,(H,31,33)/t24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 purified from Escherichia coli				Bioorg Med Chem Lett 20: 6231-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9
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