Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM29790'   

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))	BDBM29790 (7,6,5 tricyclic sulfonamide, 36) Show SMILES CCc1cn2CCS(=O)(=O)N(C(C)C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r| Show InChI InChI=1S/C31H42N4O5S/c1-4-23-20-34-12-15-41(38,39)35(21(2)3)28-18-24(17-26(23)30(28)34)31(37)33-27(16-22-8-6-5-7-9-22)29(36)19-32-25-10-13-40-14-11-25/h5-9,17-18,20-21,25,27,29,32,36H,4,10-16,19H2,1-3H3,(H,33,37)/t27-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	4.5	22
GSK					Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...				Bioorg Med Chem Lett 19: 3669-73 (2009) Article DOI: 10.1016/j.bmcl.2009.03.150 BindingDB Entry DOI: 10.7270/Q29885BR
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