Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM103391'   

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))	BDBM103391 (US8546380, 504 | US8633188, 504) Show SMILES CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cn2)c1 |w:13.13,c:6| Show InChI InChI=1S/C19H19ClN4OS/c1-19(9-10-26-18(21)24-19)14-4-2-3-13(11-14)5-8-17(25)23-16-7-6-15(20)12-22-16/h2-8,11-12H,9-10H2,1H3,(H2,21,24)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.50E+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))	BDBM103391 (US8546380, 504 | US8633188, 504) Show SMILES CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cn2)c1 |w:13.13,c:6| Show InChI InChI=1S/C19H19ClN4OS/c1-19(9-10-26-18(21)24-19)14-4-2-3-13(11-14)5-8-17(25)23-16-7-6-15(20)12-22-16/h2-8,11-12H,9-10H2,1H3,(H2,21,24)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.50E+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