Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'yonezawa' and Initial = 's'   

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))	BDBM50567456 (CHEMBL4865251) Show SMILES NC1=N[C@@](CF)(CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50501811 (CHEMBL4535964) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6| Show InChI InChI=1S/C18H16FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50567457 (CHEMBL4866376) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(ccc1F)C(=O)Nc1ccc(Cl)cn1 |r,c:6| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM210091 (US9270353, 50) Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7| Show InChI InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM210070 (US9270353, 17) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:2,6| Show InChI InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116292 (US8637504, 59 | US9273053, 59 | US9650371, 59) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:2,6| Show InChI InChI=1S/C18H13ClFN5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-14(12)20)24-16(26)15-13(19)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116301 (US8637504, 76 | US9273053, 76 | US9650371, 76) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C17H14F2N4OS/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/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM210067 (US9270353, 13) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:22,26| Show InChI InChI=1S/C17H16FN5O2S/c1-17(5-6-26-16(19)23-17)11-7-10(3-4-12(11)18)22-15(24)13-8-21-14(25-2)9-20-13/h3-9H,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116274 (US8637504, 16 | US9270353, 16 | US9650371, 16) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C17H14ClFN4OS/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/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM210070 (US9270353, 17) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:2,6| Show InChI InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50567457 (CHEMBL4866376) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(ccc1F)C(=O)Nc1ccc(Cl)cn1 |r,c:6| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic pept...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116303 (US8637504, 81 | US9273053, 81 | US9650371, 81) Show SMILES Cc1c(oc2ccc(Br)cc12)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:26,30| Show InChI InChI=1S/C21H17BrFN3O2S/c1-11-14-9-12(22)3-6-17(14)28-18(11)19(27)25-13-4-5-16(23)15(10-13)21(2)7-8-29-20(24)26-21/h3-10H,1-2H3,(H2,24,26)(H,25,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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))	BDBM210091 (US9270353, 50) Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7| Show InChI InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic pept...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116274 (US8637504, 16 | US9270353, 16 | US9650371, 16) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C17H14ClFN4OS/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/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic pept...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Mus musculus (Mouse))	BDBM210070 (US9270353, 17) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:2,6| Show InChI InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse BACE1 by HTRF assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM210070 (US9270353, 17) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:2,6| Show InChI InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic pept...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50501811 (CHEMBL4535964) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6| Show InChI InChI=1S/C18H16FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic pept...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116274 (US8637504, 16 | US9270353, 16 | US9650371, 16) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C17H14ClFN4OS/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/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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))	BDBM120379 (US8703785, 44) Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:30| Show InChI InChI=1S/C21H22N6O3/c1-4-5-9-30-17-13-23-16(12-24-17)19(29)25-15-8-6-7-14(10-15)21(2)11-18(28)27(3)20(22)26-21/h6-8,10,12-13H,9,11H2,1-3H3,(H2,22,26)(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.0	30
Shionogi & Co., Ltd. US Patent					Assay Description First, 48.5 μl portions of a solution of substrate peptide (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) we...				US Patent US8703785 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FSM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM120377 (US8703785, 40) Show SMILES COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:30| Show InChI InChI=1S/C20H24N6O4/c1-20(10-17(27)26(2)19(21)25-20)13-5-4-6-14(9-13)24-18(28)15-11-23-16(12-22-15)30-8-7-29-3/h4-6,9,11-12H,7-8,10H2,1-3H3,(H2,21,25)(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.0	30
Shionogi & Co., Ltd. US Patent					Assay Description First, 48.5 μl portions of a solution of substrate peptide (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) we...				US Patent US8703785 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FSM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116304 (US8637504, 99 | US9273053, 99 | US9650371, 99) Show SMILES COc1cnc(cn1)C(=O)Nc1cnc(Cl)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:27| Show InChI InChI=1S/C17H17ClN6O2S/c1-9-5-17(2,24-16(19)27-9)11-4-10(6-22-14(11)18)23-15(25)12-7-21-13(26-3)8-20-12/h4,6-8H,1,5H2,2-3H3,(H2,19,24)(H,23,25)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	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))	BDBM116288 (US8637504, 51 | US9273053, 51 | US9650371, 51) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:27| Show InChI InChI=1S/C18H18FN5O2S/c1-10-7-18(2,24-17(20)27-10)12-6-11(4-5-13(12)19)23-16(25)14-8-22-15(26-3)9-21-14/h4-6,8-9H,1,7H2,2-3H3,(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	16	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))	BDBM50567456 (CHEMBL4865251) Show SMILES NC1=N[C@@](CF)(CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic pept...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116292 (US8637504, 59 | US9273053, 59 | US9650371, 59) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:2,6| Show InChI InChI=1S/C18H13ClFN5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-14(12)20)24-16(26)15-13(19)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/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	19	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))	BDBM308068 (Compound 200 | US9650371, 21) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(SC(N)=N1)C(C)C |r,c:22,26| Show InChI InChI=1S/C20H22FN5O2S/c1-11(2)16-8-20(3,26-19(22)29-16)13-7-12(5-6-14(13)21)25-18(27)15-9-24-17(28-4)10-23-15/h5-11H,1-4H3,(H2,22,26)(H,25,27)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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))	BDBM116292 (US8637504, 59 | US9273053, 59 | US9650371, 59) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:2,6| Show InChI InChI=1S/C18H13ClFN5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-14(12)20)24-16(26)15-13(19)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic pept...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM210067 (US9270353, 13) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:22,26| Show InChI InChI=1S/C17H16FN5O2S/c1-17(5-6-26-16(19)23-17)11-7-10(3-4-12(11)18)22-15(24)13-8-21-14(25-2)9-20-13/h3-9H,1-2H3,(H2,19,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic pept...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116305 (US8637504, 101 | US9273053, 101 | US9650371, 101) Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ncc(cc2F)C#N)cnc1Cl |r,c:7| Show InChI InChI=1S/C18H14ClFN6OS/c1-9-5-18(2,26-17(22)28-9)12-4-11(8-24-15(12)19)25-16(27)14-13(20)3-10(6-21)7-23-14/h3-4,7-8H,1,5H2,2H3,(H2,22,26)(H,25,27)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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))	BDBM116302 (US8637504, 79 | US9273053, 79 | US9650371, 79) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C16H13BrFN5OS/c1-16(4-5-25-15(19)23-16)11-6-10(2-3-12(11)18)22-14(24)13-20-7-9(17)8-21-13/h2-8H,1H3,(H2,19,23)(H,22,24)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	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))	BDBM116306 (US8637504, 102 | US9273053, 102 | US9650371, 102) Show SMILES COc1cnc(cn1)C(=O)Nc1cnc(C)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:27| Show InChI InChI=1S/C18H20N6O2S/c1-10-6-18(3,24-17(19)27-10)13-5-12(7-20-11(13)2)23-16(25)14-8-22-15(26-4)9-21-14/h5,7-9H,1,6H2,2-4H3,(H2,19,24)(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	36	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))	BDBM116297 (US8637504, 70 | US9273053, 70 | US9650371, 70) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C18H15FN8OS/c1-18(4-5-29-17(20)26-18)12-6-11(2-3-13(12)19)25-16(28)14-7-23-15(8-22-14)27-10-21-9-24-27/h2-10H,1H3,(H2,20,26)(H,25,28)/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	36	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))	BDBM120380 (US8703785, 34) Show SMILES CN1C(=O)CC(C)(N=C1N)c1cccc(NC(=O)c2cnc(Cl)cn2)c1 |c:7| Show InChI InChI=1S/C17H17ClN6O2/c1-17(7-14(25)24(2)16(19)23-17)10-4-3-5-11(6-10)22-15(26)12-8-21-13(18)9-20-12/h3-6,8-9H,7H2,1-2H3,(H2,19,23)(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	7.0	30
Shionogi & Co., Ltd. US Patent					Assay Description First, 48.5 μl portions of a solution of substrate peptide (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) we...				US Patent US8703785 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FSM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116301 (US8637504, 76 | US9273053, 76 | US9650371, 76) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C17H14F2N4OS/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/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic pept...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM120381 (US8703785, 35) Show SMILES COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:27| Show InChI InChI=1S/C18H20N6O3/c1-18(8-15(25)24(2)17(19)23-18)11-5-4-6-12(7-11)22-16(26)13-9-21-14(27-3)10-20-13/h4-7,9-10H,8H2,1-3H3,(H2,19,23)(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	7.0	30
Shionogi & Co., Ltd. US Patent					Assay Description First, 48.5 μl portions of a solution of substrate peptide (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) we...				US Patent US8703785 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FSM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116279 (US8637504, 24 | US9273053, 24 | US9650371, 24) Show SMILES CC1=CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,c:5,t:1| Show InChI InChI=1S/C20H18FN5O2S/c1-4-7-28-17-10-23-16(9-24-17)18(27)25-13-5-6-15(21)14(8-13)20(3)12(2)11-29-19(22)26-20/h1,5-6,8-11H,7H2,2-3H3,(H2,22,26)(H,25,27)/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	54	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))	BDBM120378 (US8703785, 43) Show SMILES CN1C(=O)CC(C)(N=C1N)c1cccc(NC(=O)c2cnc(OCC#C)cn2)c1 |c:7| Show InChI InChI=1S/C20H20N6O3/c1-4-8-29-16-12-22-15(11-23-16)18(28)24-14-7-5-6-13(9-14)20(2)10-17(27)26(3)19(21)25-20/h1,5-7,9,11-12H,8,10H2,2-3H3,(H2,21,25)(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	7.0	30
Shionogi & Co., Ltd. US Patent					Assay Description First, 48.5 μl portions of a solution of substrate peptide (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) we...				US Patent US8703785 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FSM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116301 (US8637504, 76 | US9273053, 76 | US9650371, 76) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C17H14F2N4OS/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/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	62	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))	BDBM116307 (US8637504, 104 | US9273053, 104 | US9650371, 104) Show SMILES COc1cnc(cn1)C(=O)Nc1cncc(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:26| Show InChI InChI=1S/C17H18N6O2S/c1-10-5-17(2,23-16(18)26-10)11-4-12(7-19-6-11)22-15(24)13-8-21-14(25-3)9-20-13/h4,6-9H,1,5H2,2-3H3,(H2,18,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	63	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))	BDBM308072 (US9650371, 33) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(OCCO)cn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C19H19FN4O3S/c1-19(6-9-28-18(21)24-19)14-10-12(2-4-15(14)20)23-17(26)16-5-3-13(11-22-16)27-8-7-25/h2-6,9-11,25H,7-8H2,1H3,(H2,21,24)(H,23,26)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	73	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))	BDBM120385 (US8703785, 482) Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1cccc(CNc2cccnc2N)c1 Show InChI InChI=1S/C21H20N6O2/c1-2-3-10-29-19-14-25-18(13-26-19)21(28)27-16-7-4-6-15(11-16)12-24-17-8-5-9-23-20(17)22/h4-9,11,13-14,24H,10,12H2,1H3,(H2,22,23)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	73	n/a	n/a	n/a	n/a	7.0	30
Shionogi & Co., Ltd. US Patent					Assay Description First, 48.5 μl portions of a solution of substrate peptide (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) we...				US Patent US8703785 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FSM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM116289 (US8637504, 53 | US9273053, 53 | US9650371, 53) Show SMILES Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:26| Show InChI InChI=1S/C18H18FN5OS/c1-10-8-22-15(9-21-10)16(25)23-12-4-5-14(19)13(6-12)18(3)7-11(2)26-17(20)24-18/h4-6,8-9H,2,7H2,1,3H3,(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	76	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))	BDBM116286 (US8637504, 47 | US9273053, 47 | US9650371, 47) Show SMILES NC1=NC(CCS1)(c1cccc(NC(=O)c2ccc(cn2)C#N)c1)C(F)(F)F |t:1| Show InChI InChI=1S/C18H14F3N5OS/c1-23-13-5-6-14(24-10-13)15(27)25-12-4-2-3-11(9-12)17(18(19,20)21)7-8-28-16(22)26-17/h2-6,9-10H,7-8H2,(H2,22,26)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	91	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))	BDBM308067 (Intermediate Compound (147) | US9650371, 20) Show SMILES CC(C)C1=C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2cnc(C)cn2)ccc1F |r,t:3,7| Show InChI InChI=1S/C20H22FN5OS/c1-11(2)17-8-20(4,26-19(22)28-17)14-7-13(5-6-15(14)21)25-18(27)16-10-23-12(3)9-24-16/h5-11H,1-4H3,(H2,22,26)(H,25,27)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	95	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))	BDBM116281 (US8637504, 35 | US9650371, 35) Show SMILES Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)C=CSC(N)=N2)n(C)n1 |r,c:17,21| Show InChI InChI=1S/C17H18FN5OS/c1-10-8-14(23(3)22-10)15(24)20-11-4-5-13(18)12(9-11)17(2)6-7-25-16(19)21-17/h4-9H,1-3H3,(H2,19,21)(H,20,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	96	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))	BDBM116283 (US8637504, 39 | US9273053, 39 | US9650371, 39) Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)-c2ccc[nH]2)ccc1F |r,c:2,6| Show InChI InChI=1S/C21H18FN5OS/c1-21(8-10-29-20(23)27-21)15-11-14(5-6-16(15)22)26-19(28)18-7-4-13(12-25-18)17-3-2-9-24-17/h2-12,24H,1H3,(H2,23,27)(H,26,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	97	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))	BDBM116308 (US8637504, 106 | US9273053, 106 | US9650371, 106) Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cncc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)c1 |r,c:7| Show InChI InChI=1S/C18H15ClF3N5OS/c1-9-5-17(2,27-16(23)29-9)10-3-12(8-24-6-10)26-15(28)14-13(19)4-11(7-25-14)18(20,21)22/h3-4,6-8H,1,5H2,2H3,(H2,23,27)(H,26,28)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	102	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))	BDBM50226448 ((6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-...) Show SMILES COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 |c:24| Show InChI InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 expressed in Escherichia coli BL21(DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 1 hr by fluorescenc...				Bioorg Med Chem 21: 6506-22 (2013) Article DOI: 10.1016/j.bmc.2013.08.036 BindingDB Entry DOI: 10.7270/Q25H7K6Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01917 BindingDB Entry DOI: 10.7270/Q2445R8T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM120384 (US8703785, 481) Show SMILES Nc1ncccc1NCc1cccc(NC(=O)c2cnc(OCC#C)cn2)c1 Show InChI InChI=1S/C20H18N6O2/c1-2-9-28-18-13-24-17(12-25-18)20(27)26-15-6-3-5-14(10-15)11-23-16-7-4-8-22-19(16)21/h1,3-8,10,12-13,23H,9,11H2,(H2,21,22)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	7.0	30
Shionogi & Co., Ltd. US Patent					Assay Description First, 48.5 μl portions of a solution of substrate peptide (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) we...				US Patent US8703785 (2014) BindingDB Entry DOI: 10.7270/Q2MW2FSM
					More data for this Ligand-Target Pair

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