Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM116273'   

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))	BDBM116273 (US8637504, 3 | US9273053, 3 | US9650371, 3) Show SMILES NC1=NC(CS1)(C1CCCCC1)c1cccc(NC(=O)c2ccc(O)cn2)c1 |t:1| Show InChI InChI=1S/C21H24N4O2S/c22-20-25-21(13-28-20,14-5-2-1-3-6-14)15-7-4-8-16(11-15)24-19(27)18-10-9-17(26)12-23-18/h4,7-12,14,26H,1-3,5-6,13H2,(H2,22,25)(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	966	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))	BDBM116273 (US8637504, 3 | US9273053, 3 | US9650371, 3) Show SMILES NC1=NC(CS1)(C1CCCCC1)c1cccc(NC(=O)c2ccc(O)cn2)c1 |t:1| Show InChI InChI=1S/C21H24N4O2S/c22-20-25-21(13-28-20,14-5-2-1-3-6-14)15-7-4-8-16(11-15)24-19(27)18-10-9-17(26)12-23-18/h4,7-12,14,26H,1-3,5-6,13H2,(H2,22,25)(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	966	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))	BDBM116273 (US8637504, 3 | US9273053, 3 | US9650371, 3) Show SMILES NC1=NC(CS1)(C1CCCCC1)c1cccc(NC(=O)c2ccc(O)cn2)c1 |t:1| Show InChI InChI=1S/C21H24N4O2S/c22-20-25-21(13-28-20,14-5-2-1-3-6-14)15-7-4-8-16(11-15)24-19(27)18-10-9-17(26)12-23-18/h4,7-12,14,26H,1-3,5-6,13H2,(H2,22,25)(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	966	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