Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50374245'   

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))	BDBM50374245 (CHEMBL403109) Show SMILES CCCCN1C[C@H]([C@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C36H43F2N3O4/c1-2-3-14-41-22-31(30(36(41)44)17-24-10-6-4-7-11-24)35(43)40-33(18-26-15-27(37)19-28(38)16-26)34(42)32-20-29(21-39-32)45-23-25-12-8-5-9-13-25/h4-13,15-16,19,29-34,39,42H,2-3,14,17-18,20-23H2,1H3,(H,40,43)/t29-,30+,31-,32-,33+,34-/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	78	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 18: 418-22 (2008) Article DOI: 10.1016/j.bmcl.2007.10.053 BindingDB Entry DOI: 10.7270/Q2P84CRH
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