Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50316860'   

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))	BDBM50316860 ((2R,4S,5S)-4-hydroxy-N-isobutyl-2,7-dimethyl-5-((S...) Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C33H43F3N4O6/c1-20(2)16-27(29(41)17-22(5)31(43)37-19-21(3)4)39-32(44)28(18-24-8-13-26(14-9-24)40(45)46)38-30(42)15-10-23-6-11-25(12-7-23)33(34,35)36/h6-15,20-22,27-29,41H,16-19H2,1-5H3,(H,37,43)(H,38,42)(H,39,44)/b15-10+/t22-,27+,28+,29+/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	3.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
					More data for this Ligand-Target Pair