Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50274109'   

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))	BDBM50274109 (4-((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydro...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C41H45F2N5O10S/c1-23(2)37(40(53)45-31-13-11-26(12-14-31)41(54)55)47-36(50)21-35(49)34(22-58-33-19-29(42)18-30(43)20-33)46-39(52)28-15-27(16-32(17-28)48(4)59(5,56)57)38(51)44-24(3)25-9-7-6-8-10-25/h6-20,23-24,34-35,37,49H,21-22H2,1-5H3,(H,44,51)(H,45,53)(H,46,52)(H,47,50)(H,54,55)/t24-,34+,35+,37+/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	260	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
					More data for this Ligand-Target Pair