Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50196581'   

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))	BDBM50196581 (CHEMBL252962 | N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-...) Show SMILES CCCN(CCC)S(=O)(=O)CCCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C28H43N3O5S/c1-4-16-31(17-5-2)37(34,35)18-10-15-28(33)30-26(20-23-11-7-6-8-12-23)27(32)22-29-21-24-13-9-14-25(19-24)36-3/h6-9,11-14,19,26-27,29,32H,4-5,10,15-18,20-22H2,1-3H3,(H,30,33)/t26-,27+/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	7.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE				Bioorg Med Chem Lett 17: 73-7 (2006) Article DOI: 10.1016/j.bmcl.2006.09.092 BindingDB Entry DOI: 10.7270/Q2FX793P
					More data for this Ligand-Target Pair