Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50373813'   

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))	BDBM50373813 (CHEMBL271437) Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCS1(=O)=O)C(=O)NC1CCCCC1 Show InChI InChI=1S/C29H40N4O5S/c1-21(28(35)31-24-13-6-3-7-14-24)30-20-27(34)26(18-22-10-4-2-5-11-22)32-29(36)23-12-8-15-25(19-23)33-16-9-17-39(33,37)38/h2,4-5,8,10-12,15,19,21,24,26-27,30,34H,3,6-7,9,13-14,16-18,20H2,1H3,(H,31,35)(H,32,36)/t21-,26-,27+/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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 18: 1011-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.017 BindingDB Entry DOI: 10.7270/Q2PG1SK5
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