Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM116277'   

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))	BDBM116277 (US8637504, 22 | US9273053, 22 | US9650371, 22) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SC=C1C |r,c:26,t:22| Show InChI InChI=1S/C18H18FN5O2S/c1-10-9-27-17(20)24-18(10,2)12-6-11(4-5-13(12)19)23-16(25)14-7-22-15(26-3)8-21-14/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	572	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))	BDBM116277 (US8637504, 22 | US9273053, 22 | US9650371, 22) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SC=C1C |r,c:26,t:22| Show InChI InChI=1S/C18H18FN5O2S/c1-10-9-27-17(20)24-18(10,2)12-6-11(4-5-13(12)19)23-16(25)14-7-22-15(26-3)8-21-14/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	572	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))	BDBM116277 (US8637504, 22 | US9273053, 22 | US9650371, 22) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SC=C1C |r,c:26,t:22| Show InChI InChI=1S/C18H18FN5O2S/c1-10-9-27-17(20)24-18(10,2)12-6-11(4-5-13(12)19)23-16(25)14-7-22-15(26-3)8-21-14/h4-9H,1-3H3,(H2,20,24)(H,23,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	572	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