Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50274095'   

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))	BDBM50274095 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hy...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C43H49F2N5O10S/c1-25(2)39(42(55)46-22-27-11-13-30(14-12-27)43(56)57)49-38(52)21-37(51)36(24-60-23-28-15-33(44)20-34(45)16-28)48-41(54)32-17-31(18-35(19-32)50(4)61(5,58)59)40(53)47-26(3)29-9-7-6-8-10-29/h6-20,25-26,36-37,39,51H,21-24H2,1-5H3,(H,46,55)(H,47,53)(H,48,54)(H,49,52)(H,56,57)/t26-,36+,37+,39+/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	120	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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