Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM36326'   

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))	BDBM36326 (US8546380, 176 | US8633188, 176) Show SMILES COCc1cc(NC(=O)c2ccco2)cc(c1)C1(C)CCSC(N)=N1 |c:25| Show InChI InChI=1S/C28H28N2O7/c1-35-24-14-12-22(13-15-24)27(33)36-19-23(31)17-29-26(32)25(16-20-8-4-2-5-9-20)30-28(34)37-18-21-10-6-3-7-11-21/h2-15,25H,16-19H2,1H3,(H,29,32)(H,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM36326 (US8546380, 176 | US8633188, 176) Show SMILES COCc1cc(NC(=O)c2ccco2)cc(c1)C1(C)CCSC(N)=N1 |c:25| Show InChI InChI=1S/C28H28N2O7/c1-35-24-14-12-22(13-15-24)27(33)36-19-23(31)17-29-26(32)25(16-20-8-4-2-5-9-20)30-28(34)37-18-21-10-6-3-7-11-21/h2-15,25H,16-19H2,1H3,(H,29,32)(H,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using beta-Secretase activity.				US Patent US8546380 (2013) BindingDB Entry DOI: 10.7270/Q2HQ3XJ0
					More data for this Ligand-Target Pair