Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 1825   

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))	BDBM342446 (N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES Cc1cc(cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F)C#N |r,c:27| Show InChI InChI=1S/C19H17F3N6O3S/c1-9-2-10(4-23)5-25-14(9)15(29)26-13-7-32-16(27-13)18-8-31-12(19(20,21)22)3-11(18)6-30-17(24)28-18/h2,5,7,11-12H,3,6,8H2,1H3,(H2,24,28)(H,26,29)/t11-,12+,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description The BACE1 binding assay measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound ...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342447 (N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES Cc1nc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F |r,c:31| Show InChI InChI=1S/C18H17F5N6O4S/c1-7-12(25-3-11(26-7)33-15(19)20)13(30)27-10-5-34-14(28-10)17-6-32-9(18(21,22)23)2-8(17)4-31-16(24)29-17/h3,5,8-9,15H,2,4,6H2,1H3,(H2,24,29)(H,27,30)/t8-,9+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description The BACE1 binding assay measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound ...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342449 (N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 |r,t:1| Show InChI InChI=1S/C18H15F3N6O3S/c19-18(20,21)12-3-10-6-29-16(23)27-17(10,8-30-12)15-26-13(7-31-15)25-14(28)11-2-1-9(4-22)5-24-11/h1-2,5,7,10,12H,3,6,8H2,(H2,23,27)(H,25,28)/t10-,12+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description The BACE1 binding assay measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound ...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342424 (N-(2-((5aR,7S,9aR)-2-amino-7-methyl-5,5a,6,7-tetra...) Show SMILES C[C@H]1C[C@H]2CCOC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 |r,c:8| Show InChI InChI=1S/C20H23F2N5O4S/c1-10-5-13(31-18(21)22)7-24-15(10)16(28)25-14-8-32-17(26-14)20-9-30-11(2)6-12(20)3-4-29-19(23)27-20/h5,7-8,11-12,18H,3-4,6,9H2,1-2H3,(H2,23,27)(H,25,28)/t11-,12+,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342422 (N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetra...) Show SMILES C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 |r,c:7| Show InChI InChI=1S/C19H21F2N5O4S/c1-9-3-12(30-17(20)21)5-23-14(9)15(27)24-13-7-31-16(25-13)19-8-29-10(2)4-11(19)6-28-18(22)26-19/h3,5,7,10-11,17H,4,6,8H2,1-2H3,(H2,22,26)(H,24,27)/t10-,11-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342426 (N-(2-((4S,4aR,6S,8aR)-2-amino-6-methyl-4-(trifluor...) Show SMILES C[C@H]1C[C@H]2[C@H](OC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1)C(F)(F)F |r,c:7| Show InChI InChI=1S/C19H18F5N5O4S/c1-8-4-10-13(19(22,23)24)33-17(25)29-18(10,7-31-8)15-28-12(6-34-15)27-14(30)11-3-2-9(5-26-11)32-16(20)21/h2-3,5-6,8,10,13,16H,4,7H2,1H3,(H2,25,29)(H,27,30)/t8-,10-,13-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342421 (N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetra...) Show SMILES C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 |r,c:7| Show InChI InChI=1S/C18H18ClF2N5O4S/c1-8-2-9-5-28-17(22)26-18(9,7-29-8)15-25-12(6-31-15)24-14(27)13-11(19)3-10(4-23-13)30-16(20)21/h3-4,6,8-9,16H,2,5,7H2,1H3,(H2,22,26)(H,24,27)/t8-,9-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342445 (N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 |r,t:1| Show InChI InChI=1S/C17H15F5N6O4S/c18-14(19)32-11-3-24-8(2-25-11)12(29)26-10-5-33-13(27-10)16-6-31-9(17(20,21)22)1-7(16)4-30-15(23)28-16/h2-3,5,7,9,14H,1,4,6H2,(H2,23,28)(H,26,29)/t7-,9+,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description The BACE1 binding assay measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound ...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342423 (N-(2-((5aR,7S,9aR)-2-amino-7-methyl-5,5a,6,7-tetra...) Show SMILES C[C@H]1C[C@H]2CCOC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:8| Show InChI InChI=1S/C19H21F2N5O4S/c1-10-6-11-4-5-28-18(22)26-19(11,9-29-10)16-25-14(8-31-16)24-15(27)13-3-2-12(7-23-13)30-17(20)21/h2-3,7-8,10-11,17H,4-6,9H2,1H3,(H2,22,26)(H,24,27)/t10-,11+,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342432 (N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F |r,c:31| Show InChI InChI=1S/C19H18F5N5O4S/c1-8-2-10(33-16(20)21)4-26-13(8)14(30)27-12-6-34-15(28-12)18-7-32-11(19(22,23)24)3-9(18)5-31-17(25)29-18/h2,4,6,9,11,16H,3,5,7H2,1H3,(H2,25,29)(H,27,30)/t9-,11+,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342448 (N-{2-[(4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@H](C[C@H]2COC(N)=N3)C(F)(F)F)c(C)n1 |r,c:25| Show InChI InChI=1S/C18H19F3N6O4S/c1-8-13(23-4-12(24-8)29-2)14(28)25-11-6-32-15(26-11)17-7-31-10(18(19,20)21)3-9(17)5-30-16(22)27-17/h4,6,9-10H,3,5,7H2,1-2H3,(H2,22,27)(H,25,28)/t9-,10+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description The BACE1 binding assay measured beta-site amyloid precursor protein-cleaving enzyme (BACE) binding as a decrease in the counts of radioligand bound ...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342438 (N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 |r,t:1| Show InChI InChI=1S/C18H15ClF5N5O4S/c19-9-2-8(33-15(20)21)3-26-12(9)13(30)27-11-5-34-14(28-11)17-6-32-10(18(22,23)24)1-7(17)4-31-16(25)29-17/h2-3,5,7,10,15H,1,4,6H2,(H2,25,29)(H,27,30)/t7-,10+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342444 (N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spi...) Show SMILES Cc1cc(cnc1C(=O)Nc1csc(n1)[C@]12COC3(CCC3)C[C@H]1COC(N)=N2)C#N |r,c:31| Show InChI InChI=1S/C21H22N6O3S/c1-12-5-13(7-22)8-24-16(12)17(28)25-15-10-31-18(26-15)21-11-30-20(3-2-4-20)6-14(21)9-29-19(23)27-21/h5,8,10,14H,2-4,6,9,11H2,1H3,(H2,23,27)(H,25,28)/t14-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342420 (N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetra...) Show SMILES C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:7| Show InChI InChI=1S/C18H19F2N5O4S/c1-9-4-10-6-27-17(21)25-18(10,8-28-9)15-24-13(7-30-15)23-14(26)12-3-2-11(5-22-12)29-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342425 (N-(2-((4S,4aR,6S,8aR)-2-amino-4-(fluoromethyl)-6-m...) Show SMILES C[C@H]1C[C@H]2[C@@H](CF)OC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:9| Show InChI InChI=1S/C19H20F3N5O4S/c1-9-4-11-13(5-20)31-18(23)27-19(11,8-29-9)16-26-14(7-32-16)25-15(28)12-3-2-10(6-24-12)30-17(21)22/h2-3,6-7,9,11,13,17H,4-5,8H2,1H3,(H2,23,27)(H,25,28)/t9-,11-,13+,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342430 (N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 |r,t:1| Show InChI InChI=1S/C17H15ClF3N5O3S/c18-9-1-2-10(23-4-9)13(27)24-12-6-30-14(25-12)16-7-29-11(17(19,20)21)3-8(16)5-28-15(22)26-16/h1-2,4,6,8,11H,3,5,7H2,(H2,22,26)(H,24,27)/t8-,11+,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342440 (N-(2-((4a′R,8a′R)-2′-amino-4a...) Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12COC3(CCC3)C[C@H]1COC(N)=N2 |r,c:35| Show InChI InChI=1S/C21H23F2N5O4S/c1-11-5-13(32-18(22)23)7-25-15(11)16(29)26-14-9-33-17(27-14)21-10-31-20(3-2-4-20)6-12(21)8-30-19(24)28-21/h5,7,9,12,18H,2-4,6,8,10H2,1H3,(H2,24,28)(H,26,29)/t12-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342435 (N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,t:1| Show InChI InChI=1S/C18H16F5N5O4S/c19-15(20)32-9-1-2-10(25-4-9)13(29)26-12-6-33-14(27-12)17-7-31-11(18(21,22)23)3-8(17)5-30-16(24)28-17/h1-2,4,6,8,11,15H,3,5,7H2,(H2,24,28)(H,26,29)/t8-,11+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	371	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342441 (N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spi...) Show SMILES NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 |r,t:1| Show InChI InChI=1S/C20H20N6O3S/c21-7-12-2-3-14(23-8-12)16(27)24-15-10-30-17(25-15)20-11-29-19(4-1-5-19)6-13(20)9-28-18(22)26-20/h2-3,8,10,13H,1,4-6,9,11H2,(H2,22,26)(H,24,27)/t13-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	395	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342428 (N-(2-((4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,6-tetr...) Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12COC(C)(C)C[C@H]1COC(N)=N2 |r,c:33| Show InChI InChI=1S/C20H23F2N5O4S/c1-10-4-12(31-17(21)22)6-24-14(10)15(28)25-13-8-32-16(26-13)20-9-30-19(2,3)5-11(20)7-29-18(23)27-20/h4,6,8,11,17H,5,7,9H2,1-3H3,(H2,23,27)(H,25,28)/t11-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	475	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342443 (N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spi...) Show SMILES NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 |r,t:1| Show InChI InChI=1S/C20H20ClF2N5O4S/c21-12-4-11(32-17(22)23)6-25-14(12)15(29)26-13-8-33-16(27-13)20-9-31-19(2-1-3-19)5-10(20)7-30-18(24)28-20/h4,6,8,10,17H,1-3,5,7,9H2,(H2,24,28)(H,26,29)/t10-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	561	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342427 (N-(2-((4aR,8aR)-2-Amino-6,6-dimethyl-4,4a,5,6-tetr...) Show SMILES CC1(C)C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:8| Show InChI InChI=1S/C19H21F2N5O4S/c1-18(2)5-10-7-28-17(22)26-19(10,9-29-18)15-25-13(8-31-15)24-14(27)12-4-3-11(6-23-12)30-16(20)21/h3-4,6,8,10,16H,5,7,9H2,1-2H3,(H2,22,26)(H,24,27)/t10-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342439 (N-(2-((4a′R,8a′R)-2′-amino-4a...) Show SMILES NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,t:1| Show InChI InChI=1S/C20H21F2N5O4S/c21-17(22)31-12-2-3-13(24-7-12)15(28)25-14-9-32-16(26-14)20-10-30-19(4-1-5-19)6-11(20)8-29-18(23)27-20/h2-3,7,9,11,17H,1,4-6,8,10H2,(H2,23,27)(H,25,28)/t11-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342442 (N-(2-((4a'R,8a'R)-2'-amino- 4a',5'-dihydro-4'H-spi...) Show SMILES NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 |r,t:1| Show InChI InChI=1S/C19H20F2N6O4S/c20-16(21)31-13-6-23-11(5-24-13)14(28)25-12-8-32-15(26-12)19-9-30-18(2-1-3-18)4-10(19)7-29-17(22)27-19/h5-6,8,10,16H,1-4,7,9H2,(H2,22,27)(H,25,28)/t10-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342436 (N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 |r,t:1| Show InChI InChI=1S/C18H15ClF5N5O4S/c19-9-2-8(33-15(20)21)3-26-12(9)13(30)27-11-5-34-14(28-11)17-6-32-10(18(22,23)24)1-7(17)4-31-16(25)29-17/h2-3,5,7,10,15H,1,4,6H2,(H2,25,29)(H,27,30)/t7-,10+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342431 (N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@@]12CO[C@@H](C[C@@H]1COC(N)=N2)C(F)(F)F |r,c:31| Show InChI InChI=1S/C19H18F5N5O4S/c1-8-2-10(33-16(20)21)4-26-13(8)14(30)27-12-6-34-15(28-12)18-7-32-11(19(22,23)24)3-9(18)5-31-17(25)29-18/h2,4,6,9,11,16H,3,5,7H2,1H3,(H2,25,29)(H,27,30)/t9-,11+,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342433 (N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,t:1| Show InChI InChI=1S/C18H16F5N5O4S/c19-15(20)32-9-1-2-10(25-4-9)13(29)26-12-6-33-14(27-12)17-7-31-11(18(21,22)23)3-8(17)5-30-16(24)28-17/h1-2,4,6,8,11,15H,3,5,7H2,(H2,24,28)(H,26,29)/t8-,11+,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM342429 (N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4...) Show SMILES NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 |r,t:1| Show InChI InChI=1S/C17H15ClF3N5O3S/c18-9-1-2-10(23-4-9)13(27)24-12-6-30-14(25-12)16-7-29-11(17(19,20)21)3-8(16)5-28-15(22)26-16/h1-2,4,6,8,11H,3,5,7H2,(H2,22,26)(H,24,27)/t8-,11+,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...				US Patent US9771379 (2017) BindingDB Entry DOI: 10.7270/Q2R78HC1
					More data for this Ligand-Target Pair