Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM116304'   

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))	BDBM116304 (US8637504, 99 | US9273053, 99 | US9650371, 99) Show SMILES COc1cnc(cn1)C(=O)Nc1cnc(Cl)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:27| Show InChI InChI=1S/C17H17ClN6O2S/c1-9-5-17(2,24-16(19)27-9)11-4-10(6-22-14(11)18)23-15(25)12-7-21-13(26-3)8-20-12/h4,6-8H,1,5H2,2-3H3,(H2,19,24)(H,23,25)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description 48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...				US Patent US8637504 (2014) BindingDB Entry DOI: 10.7270/Q2DN43Q2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116304 (US8637504, 99 | US9273053, 99 | US9650371, 99) Show SMILES COc1cnc(cn1)C(=O)Nc1cnc(Cl)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:27| Show InChI InChI=1S/C17H17ClN6O2S/c1-9-5-17(2,24-16(19)27-9)11-4-10(6-22-14(11)18)23-15(25)12-7-21-13(26-3)8-20-12/h4,6-8H,1,5H2,2-3H3,(H2,19,24)(H,23,25)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description 48.5 uL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well of...				US Patent US9650371 (2017) BindingDB Entry DOI: 10.7270/Q2M047HB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116304 (US8637504, 99 | US9273053, 99 | US9650371, 99) Show SMILES COc1cnc(cn1)C(=O)Nc1cnc(Cl)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:27| Show InChI InChI=1S/C17H17ClN6O2S/c1-9-5-17(2,24-16(19)27-9)11-4-10(6-22-14(11)18)23-15(25)12-7-21-13(26-3)8-20-12/h4,6-8H,1,5H2,2-3H3,(H2,19,24)(H,23,25)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	5.0	n/a
Shionogi & Co., Ltd. US Patent					Assay Description 48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...				US Patent US9273053 (2016) BindingDB Entry DOI: 10.7270/Q24Q7SVG
					More data for this Ligand-Target Pair