Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50274104'   

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))	BDBM50274104 (5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hyd...) Show SMILES CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C36H41F2N5O12S/c1-18(2)31(34(48)40-26-10-22(35(49)50)9-23(11-26)36(51)52)42-30(45)15-29(44)28(17-55-16-19-6-24(37)14-25(38)7-19)41-33(47)21-8-20(32(46)39-3)12-27(13-21)43(4)56(5,53)54/h6-14,18,28-29,31,44H,15-17H2,1-5H3,(H,39,46)(H,40,48)(H,41,47)(H,42,45)(H,49,50)(H,51,52)/t28-,29-,31-/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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assay				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
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