Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM116285'   

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))	BDBM116285 (US8637504, 46 | US9273053, 46 | US9650371, 46) Show SMILES NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCCF)cn2)c1)C(F)(F)F |t:1| Show InChI InChI=1S/C18H17F4N5O2S/c19-5-6-29-14-10-24-13(9-25-14)15(28)26-12-3-1-2-11(8-12)17(18(20,21)22)4-7-30-16(23)27-17/h1-3,8-10H,4-7H2,(H2,23,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	611	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))	BDBM116285 (US8637504, 46 | US9273053, 46 | US9650371, 46) Show SMILES NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCCF)cn2)c1)C(F)(F)F |t:1| Show InChI InChI=1S/C18H17F4N5O2S/c19-5-6-29-14-10-24-13(9-25-14)15(28)26-12-3-1-2-11(8-12)17(18(20,21)22)4-7-30-16(23)27-17/h1-3,8-10H,4-7H2,(H2,23,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	611	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))	BDBM116285 (US8637504, 46 | US9273053, 46 | US9650371, 46) Show SMILES NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCCF)cn2)c1)C(F)(F)F |t:1| Show InChI InChI=1S/C18H17F4N5O2S/c19-5-6-29-14-10-24-13(9-25-14)15(28)26-12-3-1-2-11(8-12)17(18(20,21)22)4-7-30-16(23)27-17/h1-3,8-10H,4-7H2,(H2,23,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	611	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