Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM36793'   

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))	BDBM36793 (US8546380, 1244 | US8546380, 1312) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 |c:6| Show InChI InChI=1S/C18H17F3N4OS/c1-17(7-8-27-16(22)25-17)11-3-2-4-13(9-11)24-15(26)14-6-5-12(10-23-14)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H2,22,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	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))	BDBM36793 (US8546380, 1244 | US8546380, 1312) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 |c:6| Show InChI InChI=1S/C18H17F3N4OS/c1-17(7-8-27-16(22)25-17)11-3-2-4-13(9-11)24-15(26)14-6-5-12(10-23-14)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H2,22,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	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