Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50231935'   

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))	BDBM50231935 ((2,5-dimethyloxazol-4-yl)methyl (R)-1-((2S,3R)-4-(...) Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc2nc(C)oc2C)c1 Show InChI InChI=1S/C29H38N4O8S/c1-19-25(31-20(2)41-19)17-40-29(36)33-26(18-42(4,37)38)28(35)32-24(14-21-9-6-5-7-10-21)27(34)16-30-15-22-11-8-12-23(13-22)39-3/h5-13,24,26-27,30,34H,14-18H2,1-4H3,(H,32,35)(H,33,36)/t24-,26-,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity to recombinant memapsin 2				Bioorg Med Chem Lett 18: 1031-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.028 BindingDB Entry DOI: 10.7270/Q2513XZC
					More data for this Ligand-Target Pair