Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM26500'   

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))	BDBM26500 (N-[5-({6-[4-(3-hydroxypropyl)phenyl]pyrimidin-4-yl...) Show SMILES Cc1ccc(Nc2cc(ncn2)-c2ccc(CCCO)cc2)cc1NS(C)(=O)=O Show InChI InChI=1S/C21H24N4O3S/c1-15-5-10-18(12-19(15)25-29(2,27)28)24-21-13-20(22-14-23-21)17-8-6-16(7-9-17)4-3-11-26/h5-10,12-14,25-26H,3-4,11H2,1-2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	4.5	22
Merck Research Laboratories					Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. After the reaction was terminated, the solution wa...				Bioorg Med Chem Lett 19: 17-20 (2009) Article DOI: 10.1016/j.bmcl.2008.11.027 BindingDB Entry DOI: 10.7270/Q22J696F
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