Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoform C of Beta-secretase 1 (BACE-I-457)' and Ligand = 'BDBM113227'   

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
Isoform C of Beta-secretase 1 (BACE-I-457) (Homo sapiens (Human))	BDBM113227 (US8633212, 5) Show SMILES COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(Cl)c2)CC1 |c:20| Show InChI InChI=1S/C23H26ClN3O2/c1-27-21(25)26-23(29-27)20-13-16(15-4-3-5-18(24)12-15)6-7-17(20)14-22(23)10-8-19(28-2)9-11-22/h3-7,12-13,19H,8-11,14H2,1-2H3,(H2,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	4.5	25
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...				US Patent US8633212 (2014) BindingDB Entry DOI: 10.7270/Q2V123D3
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