Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM116291'   

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))	BDBM116291 (US8637504, 58 | US9273053, 58 | US9650371, 58) Show SMILES COc1ccc(cc1O)C1(CSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |c:14| Show InChI InChI=1S/C22H18Cl2N4O3S/c1-31-18-6-5-13(8-17(18)29)22(11-32-21(25)28-22)12-3-2-4-15(7-12)27-20(30)19-16(24)9-14(23)10-26-19/h2-10,29H,11H2,1H3,(H2,25,28)(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	186	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))	BDBM116291 (US8637504, 58 | US9273053, 58 | US9650371, 58) Show SMILES COc1ccc(cc1O)C1(CSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |c:14| Show InChI InChI=1S/C22H18Cl2N4O3S/c1-31-18-6-5-13(8-17(18)29)22(11-32-21(25)28-22)12-3-2-4-15(7-12)27-20(30)19-16(24)9-14(23)10-26-19/h2-10,29H,11H2,1H3,(H2,25,28)(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	186	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))	BDBM116291 (US8637504, 58 | US9273053, 58 | US9650371, 58) Show SMILES COc1ccc(cc1O)C1(CSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |c:14| Show InChI InChI=1S/C22H18Cl2N4O3S/c1-31-18-6-5-13(8-17(18)29)22(11-32-21(25)28-22)12-3-2-4-15(7-12)27-20(30)19-16(24)9-14(23)10-26-19/h2-10,29H,11H2,1H3,(H2,25,28)(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	186	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