Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM103381'   

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))	BDBM103381 (US8546380, 246 | US8633188, 246) Show SMILES CC1(CCSC(N)=N1)c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 |c:6| Show InChI InChI=1S/C19H20ClN3O2S/c1-19(9-10-26-18(21)23-19)13-3-2-4-16(11-13)25-12-17(24)22-15-7-5-14(20)6-8-15/h2-8,11H,9-10,12H2,1H3,(H2,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90E+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))	BDBM103381 (US8546380, 246 | US8633188, 246) Show SMILES CC1(CCSC(N)=N1)c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 |c:6| Show InChI InChI=1S/C19H20ClN3O2S/c1-19(9-10-26-18(21)23-19)13-3-2-4-16(11-13)25-12-17(24)22-15-7-5-14(20)6-8-15/h2-8,11H,9-10,12H2,1H3,(H2,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	5.0	30
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