Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6175   

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))	BDBM38224 (US8546380, 1043 | US8633188, 1043) Show SMILES CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:6| Show InChI InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38226 (US8546380, 1199 | US8633188, 1199) Show SMILES CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl |c:6| Show InChI InChI=1S/C17H16Cl2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38220 (US8546380, 1100 | US8633188, 1100) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 |c:6| Show InChI InChI=1S/C17H17BrN4OS/c1-17(7-8-24-16(19)22-17)11-3-2-4-13(9-11)21-15(23)14-6-5-12(18)10-20-14/h2-6,9-10H,7-8H2,1H3,(H2,19,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103377 (US8546380, 165 | US8633188, 165) Show SMILES CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(Cl)cn2)c1 |c:6| Show InChI InChI=1S/C17H16BrClN4OS/c1-17(4-5-25-16(20)23-17)10-6-11(18)8-13(7-10)22-15(24)14-3-2-12(19)9-21-14/h2-3,6-9H,4-5H2,1H3,(H2,20,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	39.4	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38216 (US8546380, 739 | US8633188, 739) Show SMILES CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccc(Cl)cn2)c1 |c:6| Show InChI InChI=1S/C17H16Cl2N4OS/c1-17(4-5-25-16(20)23-17)10-6-12(19)8-13(7-10)22-15(24)14-3-2-11(18)9-21-14/h2-3,6-9H,4-5H2,1H3,(H2,20,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	49	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38229 (US8546380, 127 | US8633188, 127) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |c:6| Show InChI InChI=1S/C17H16Cl2N4OS/c1-17(5-6-25-16(20)23-17)10-3-2-4-12(7-10)22-15(24)14-13(19)8-11(18)9-21-14/h2-4,7-9H,5-6H2,1H3,(H2,20,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM34552 (US8546380, 793 | US8633188, 793) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |c:6| Show InChI InChI=1S/C17H19NO3/c1-4-21-15-7-5-6-13(17(15)20)10-18-14-9-11(2)8-12(3)16(14)19/h5-10,18-19H,4H2,1-3H3/b13-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM36793 (US8546380, 1244 | US8546380, 1312) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 |c:6| Show InChI InChI=1S/C18H17F3N4OS/c1-17(7-8-27-16(22)25-17)11-3-2-4-13(9-11)24-15(26)14-6-5-12(10-23-14)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H2,22,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103429 (US8546380, 1262 | US8633188, 1262) Show SMILES CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(Br)cc2)c1 |c:6| Show InChI InChI=1S/C18H17Br2N3OS/c1-18(6-7-25-17(21)23-18)12-8-14(20)10-15(9-12)22-16(24)11-2-4-13(19)5-3-11/h2-5,8-10H,6-7H2,1H3,(H2,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103392 (US8546380, 570 | US8633188, 570) Show SMILES CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2nc3ccccc3s2)c1 |c:6| Show InChI InChI=1S/C19H17BrN4OS2/c1-19(6-7-26-18(21)24-19)11-8-12(20)10-13(9-11)22-16(25)17-23-14-4-2-3-5-15(14)27-17/h2-5,8-10H,6-7H2,1H3,(H2,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	149	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103404 (US8546380, 786 | US8633188, 786) Show SMILES CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccco2)c1 |c:6| Show InChI InChI=1S/C16H16BrN3O2S/c1-16(4-6-23-15(18)20-16)10-7-11(17)9-12(8-10)19-14(21)13-3-2-5-22-13/h2-3,5,7-9H,4,6H2,1H3,(H2,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	156	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38222 (US8546380, 436 | US8633188, 436) Show SMILES Cc1cc(C)c(o1)C(=O)Nc1cc(Br)cc(c1)C1(C)CCSC(N)=N1 |c:25| Show InChI InChI=1S/C18H20BrN3O2S/c1-10-6-11(2)24-15(10)16(23)21-14-8-12(7-13(19)9-14)18(3)4-5-25-17(20)22-18/h6-9H,4-5H2,1-3H3,(H2,20,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38213 (US8546380, 96 | US8633188, 96) Show SMILES CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2nc3ccccc3s2)c1 |c:6| Show InChI InChI=1S/C19H17ClN4OS2/c1-19(6-7-26-18(21)24-19)11-8-12(20)10-13(9-11)22-16(25)17-23-14-4-2-3-5-15(14)27-17/h2-5,8-10H,6-7H2,1H3,(H2,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	163	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM34549 (US8546380, 1014 | US8633188, 1014) Show SMILES CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2cc3ccccc3s2)c1 |c:6| Show InChI InChI=1S/C19H22N4O2/c1-12(2)9-19(24)20-16-11-18-17(10-13(16)3)21-23(22-18)14-5-7-15(25-4)8-6-14/h5-8,10-12H,9H2,1-4H3,(H,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	165	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38211 (US8546380, 698 | US8633188, 698) Show SMILES CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccc(Br)cc2)c1 |c:6| Show InChI InChI=1S/C18H17BrClN3OS/c1-18(6-7-25-17(21)23-18)12-8-14(20)10-15(9-12)22-16(24)11-2-4-13(19)5-3-11/h2-5,8-10H,6-7H2,1H3,(H2,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	165	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38232 (US8546380, 1035 | US8633188, 1035) Show SMILES COc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:26| Show InChI InChI=1S/C18H19ClN4O2S/c1-18(5-6-26-17(20)23-18)11-7-13(9-14(8-11)25-2)22-16(24)15-4-3-12(19)10-21-15/h3-4,7-10H,5-6H2,1-2H3,(H2,20,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	174	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM36406 (US8546380, 912 | US8633188, 912) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2nc3ccccc3s2)c1 |c:6| Show InChI InChI=1S/C14H14BrN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8/h3-7,21H,1-2H3,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	175	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM36407 (US8546380, 212 | US8633188, 212) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(F)cn2)c1 |c:6| Show InChI InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-5-6-13-11(8-12)4-3-7-19-13/h3-10H,1-2H3,(H2,18,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	220	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38218 (US8546380, 832 | US8633188, 832) Show SMILES CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2cc3ccccc3s2)c1 |c:6| Show InChI InChI=1S/C20H18ClN3OS2/c1-20(6-7-26-19(22)24-20)13-9-14(21)11-15(10-13)23-18(25)17-8-12-4-2-3-5-16(12)27-17/h2-5,8-11H,6-7H2,1H3,(H2,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	222	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM36405 (US8546380, 284 | US8633188, 284) Show SMILES COCc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:27| Show InChI InChI=1S/C20H26N6O3/c1-11(2)26-18-15(17(21)22-10-23-18)16(25-26)12-7-8-13(14(9-12)28-6)24-19(27)29-20(3,4)5/h7-11H,1-6H3,(H,24,27)(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	US Patent	n/a	n/a	229	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38215 (US8546380, 822 | US8633188, 822) Show SMILES CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccco2)c1 |c:6| Show InChI InChI=1S/C16H16ClN3O2S/c1-16(4-6-23-15(18)20-16)10-7-11(17)9-12(8-10)19-14(21)13-3-2-5-22-13/h2-3,5,7-9H,4,6H2,1H3,(H2,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	243	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM34551 (US8546380, 964 | US8633188, 964) Show SMILES CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C(F)(F)F |c:6| Show InChI InChI=1S/C13H10FN3S/c14-10-5-2-1-4-9(10)8-18-13-16-11-6-3-7-15-12(11)17-13/h1-7H,8H2,(H,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	264	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103387 (US8546380, 731 | US8633188, 731) Show SMILES Cc1cc(C(=O)Nc2cc(Br)cc(c2)C2(C)CCSC(N)=N2)c(C)o1 |c:21| Show InChI InChI=1S/C18H20BrN3O2S/c1-10-6-15(11(2)24-10)16(23)21-14-8-12(7-13(19)9-14)18(3)4-5-25-17(20)22-18/h6-9H,4-5H2,1-3H3,(H2,20,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	278	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38228 (US8546380, 73 | US8633188, 73) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(N)=O)c1 |c:6| Show InChI InChI=1S/C18H19N5O2S/c1-18(7-8-26-17(20)23-18)12-3-2-4-13(9-12)22-16(25)14-6-5-11(10-21-14)15(19)24/h2-6,9-10H,7-8H2,1H3,(H2,19,24)(H2,20,23)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	435	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103413 (US8546380, 972 | US8633188, 972) Show SMILES CC1(CCSC(N)=N1)c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1F |c:6| Show InChI InChI=1S/C20H18F2N4OS/c1-20(6-7-28-19(23)26-20)14-10-13(3-4-15(14)22)24-18(27)17-9-11-8-12(21)2-5-16(11)25-17/h2-5,8-10,25H,6-7H2,1H3,(H2,23,26)(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	450	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38221 (US8546380, 740 | US8633188, 740) Show SMILES NC1=NC(CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |t:1| Show InChI InChI=1S/C16H15ClN4OS/c17-11-4-5-14(19-9-11)15(22)20-12-3-1-2-10(8-12)13-6-7-23-16(18)21-13/h1-5,8-9,13H,6-7H2,(H2,18,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	505	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103422 (US8546380, 1160 | US8633188, 1160) Show SMILES CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccccn2)c1 |c:6| Show InChI InChI=1S/C17H17BrN4OS/c1-17(5-7-24-16(19)22-17)11-8-12(18)10-13(9-11)21-15(23)14-4-2-3-6-20-14/h2-4,6,8-10H,5,7H2,1H3,(H2,19,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	720	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103410 (US8546380, 897 | US8633188, 897) Show SMILES CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)cc(c1)C(F)(F)F |c:6| Show InChI InChI=1S/C19H16F6N4OS/c1-17(4-5-31-16(26)29-17)11-6-12(19(23,24)25)8-13(7-11)28-15(30)14-3-2-10(9-27-14)18(20,21)22/h2-3,6-9H,4-5H2,1H3,(H2,26,29)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	816	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38230 (US8546380, 309 | US8633188, 309) Show SMILES Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 |c:24| Show InChI InChI=1S/C17H19N5OS/c1-11-9-20-14(10-19-11)15(23)21-13-5-3-4-12(8-13)17(2)6-7-24-16(18)22-17/h3-5,8-10H,6-7H2,1-2H3,(H2,18,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	833	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM35082 (US8546380, 1197 | US8633188, 1197) Show SMILES COCc1cc(NC(=O)c2ccc(Br)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27| Show InChI InChI=1S/C20H22BrN3O2S/c1-20(7-8-27-19(22)24-20)15-9-13(12-26-2)10-17(11-15)23-18(25)14-3-5-16(21)6-4-14/h3-6,9-11H,7-8,12H2,1-2H3,(H2,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	912	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM34558 (US8546380, 498 | US8633188, 498) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cc2)C#N)c1 |c:6| Show InChI InChI=1S/C10H7N3OS3/c15-9-13-12-8(14-9)5-16-10-11-6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	930	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM34553 (US8546380, 625 | US8633188, 625) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 |c:6| Show InChI InChI=1S/C15H21N3OS/c1-12(19)17-8-10-18(11-9-17)15(20)13-4-6-14(7-5-13)16(2)3/h4-7H,8-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM36326 (US8546380, 176 | US8633188, 176) Show SMILES COCc1cc(NC(=O)c2ccco2)cc(c1)C1(C)CCSC(N)=N1 |c:25| Show InChI InChI=1S/C28H28N2O7/c1-35-24-14-12-22(13-15-24)27(33)36-19-23(31)17-29-26(32)25(16-20-8-4-2-5-9-20)30-28(34)37-18-21-10-6-3-7-11-21/h2-15,25H,16-19H2,1H3,(H,29,32)(H,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM34542 (US8546380, 220 | US8633188, 220) Show SMILES CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 |c:6| Show InChI InChI=1S/C11H15NO2S/c1-12(2)11(15)8-5-6-9(13-3)10(7-8)14-4/h5-7H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM35086 (US8546380, 395 | US8633188, 395) Show SMILES COCc1cc(NC(=O)c2ccc(Cl)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27| Show InChI InChI=1S/C20H22ClN3O2S/c1-20(7-8-27-19(22)24-20)15-9-13(12-26-2)10-17(11-15)23-18(25)14-3-5-16(21)6-4-14/h3-6,9-11H,7-8,12H2,1-2H3,(H2,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM34559 (US8546380, 26 | US8633188, 26) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1 |c:6| Show InChI InChI=1S/C16H17NO/c1-2-18-16-9-7-15(8-10-16)17-11-13-5-3-4-6-14(13)12-17/h3-10H,2,11-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM36451 (US8546380, 163 | US8633188, 163) Show SMILES CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccco2)cc(c1)C(F)(F)F |c:6| Show InChI InChI=1S/C21H18Cl3F3N4O/c1-20(2,3)16-10-17(29-19(32)28-13-6-4-12(22)5-7-13)31(30-16)18-14(23)8-11(9-15(18)24)21(25,26)27/h4-10H,1-3H3,(H2,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM38231 (US8546380, 1135 | US8633188, 1135) Show SMILES CC(C)Oc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:28| Show InChI InChI=1S/C20H23ClN4O2S/c1-12(2)27-16-9-13(20(3)6-7-28-19(22)25-20)8-15(10-16)24-18(26)17-5-4-14(21)11-23-17/h4-5,8-12H,6-7H2,1-3H3,(H2,22,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103391 (US8546380, 504 | US8633188, 504) Show SMILES CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cn2)c1 |w:13.13,c:6| Show InChI InChI=1S/C19H19ClN4OS/c1-19(9-10-26-18(21)24-19)14-4-2-3-13(11-14)5-8-17(25)23-16-7-6-15(20)12-22-16/h2-8,11-12H,9-10H2,1H3,(H2,21,24)(H,22,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103420 (US8546380, 1132 | US8633188, 1132) Show SMILES CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccno2)c1 |c:6| Show InChI InChI=1S/C15H15BrN4O2S/c1-15(3-5-23-14(17)20-15)9-6-10(16)8-11(7-9)19-13(21)12-2-4-18-22-12/h2,4,6-8H,3,5H2,1H3,(H2,17,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103416 (US8546380, 1010 | US8633188, 1010) Show SMILES CC1(CCSC(N)=N1)c1cccc(OCCCc2ccccc2)c1 |c:6| Show InChI InChI=1S/C20H24N2OS/c1-20(12-14-24-19(21)22-20)17-10-5-11-18(15-17)23-13-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,15H,6,9,12-14H2,1H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103381 (US8546380, 246 | US8633188, 246) Show SMILES CC1(CCSC(N)=N1)c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 |c:6| Show InChI InChI=1S/C19H20ClN3O2S/c1-19(9-10-26-18(21)23-19)13-3-2-4-16(11-13)25-12-17(24)22-15-7-5-14(20)6-8-15/h2-8,11H,9-10,12H2,1H3,(H2,21,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM34560 (US8546380, 465 | US8633188, 465) Show SMILES COCc1cc(NC(=O)c2ccc(C)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27| Show InChI InChI=1S/C20H14N4OS/c1-25-13-8-6-12(7-9-13)18-14(10-21)19(23)24-16-4-2-3-5-17(16)26-20(24)15(18)11-22/h2-9,18H,23H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM35652 (US8546380, 664 | US8633188, 664) Show SMILES COCc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:31| Show InChI InChI=1S/C21H22F3N3O3S/c1-20(7-8-31-19(25)27-20)15-9-13(12-29-2)10-16(11-15)26-18(28)14-3-5-17(6-4-14)30-21(22,23)24/h3-6,9-11H,7-8,12H2,1-2H3,(H2,25,27)(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	3.64E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103427 (US8546380, 1207 | US8633188, 1207) Show SMILES CC1(CCSC(N)=N1)c1cccc(OCCCc2ccc(Cl)cc2)c1 |c:6| Show InChI InChI=1S/C20H23ClN2OS/c1-20(11-13-25-19(22)23-20)16-5-2-6-18(14-16)24-12-3-4-15-7-9-17(21)10-8-15/h2,5-10,14H,3-4,11-13H2,1H3,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103414 (US8546380, 998 | US8633188, 998) Show SMILES CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cc2)c1 |w:13.13,c:6| Show InChI InChI=1S/C20H20ClN3OS/c1-20(11-12-26-19(22)24-20)15-4-2-3-14(13-15)5-10-18(25)23-17-8-6-16(21)7-9-17/h2-10,13H,11-12H2,1H3,(H2,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM35282 (US8546380, 660 | US8633188, 660) Show SMILES COCc1cc(NC(=O)c2ccc(cc2)C(F)(F)F)cc(c1)C1(C)CCSC(N)=N1 |c:30| Show InChI InChI=1S/C21H22F3N3O2S/c1-20(7-8-30-19(25)27-20)16-9-13(12-29-2)10-17(11-16)26-18(28)14-3-5-15(6-4-14)21(22,23)24/h3-6,9-11H,7-8,12H2,1-2H3,(H2,25,27)(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	4.59E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103386 (US8546380, 417 | US8633188, 417) Show SMILES CCOC(=O)C=Cc1cccc(c1)C1(C)CCSC(N)=N1 |w:6.6,c:20| Show InChI InChI=1S/C16H20N2O2S/c1-3-20-14(19)8-7-12-5-4-6-13(11-12)16(2)9-10-21-15(17)18-16/h4-8,11H,3,9-10H2,1-2H3,(H2,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103389 (US8546380, 490 | US8633188, 490) Show SMILES CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2cccs2)c1 |c:6| Show InChI InChI=1S/C16H16BrN3OS2/c1-16(4-6-23-15(18)20-16)10-7-11(17)9-12(8-10)19-14(21)13-3-2-5-22-13/h2-3,5,7-9H,4,6H2,1H3,(H2,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103403 (US8546380, 753 | US8633188, 753) Show SMILES CC1(CCSC(N)=N1)c1cccc(NCc2ccc(Cl)cc2)c1 |c:6| Show InChI InChI=1S/C18H20ClN3S/c1-18(9-10-23-17(20)22-18)14-3-2-4-16(11-14)21-12-13-5-7-15(19)8-6-13/h2-8,11,21H,9-10,12H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair

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