Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM116294'   

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))	BDBM116294 (US8637504, 61 | US9273053, 61 | US9650371, 61) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCc3ncc[nH]3)cn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C20H18FN7O2S/c1-20(4-7-31-19(22)28-20)13-8-12(2-3-14(13)21)27-18(29)15-9-26-17(10-25-15)30-11-16-23-5-6-24-16/h2-10H,11H2,1H3,(H2,22,28)(H,23,24)(H,27,29)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	169	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))	BDBM116294 (US8637504, 61 | US9273053, 61 | US9650371, 61) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCc3ncc[nH]3)cn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C20H18FN7O2S/c1-20(4-7-31-19(22)28-20)13-8-12(2-3-14(13)21)27-18(29)15-9-26-17(10-25-15)30-11-16-23-5-6-24-16/h2-10H,11H2,1H3,(H2,22,28)(H,23,24)(H,27,29)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	169	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))	BDBM116294 (US8637504, 61 | US9273053, 61 | US9650371, 61) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCc3ncc[nH]3)cn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C20H18FN7O2S/c1-20(4-7-31-19(22)28-20)13-8-12(2-3-14(13)21)27-18(29)15-9-26-17(10-25-15)30-11-16-23-5-6-24-16/h2-10H,11H2,1H3,(H2,22,28)(H,23,24)(H,27,29)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	169	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