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Compile Data Set for Download or QSAR

Found 1843 hits Enz. Inhib. hit(s) with Target = 'Beta amyloid A4 protein'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455363
PNG
(7-(2,3-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)c1cccc(F)c1F
Show InChI InChI=1S/C27H32F2N8O/c1-27(2)14-37(19-7-5-6-18(28)22(19)29)25-21(27)24(30-3)33-26(34-25)32-23-15-8-9-16(23)13-36(12-15)17-10-20(38-4)35-31-11-17/h5-7,10-11,15-16,23H,8-9,12-14H2,1-4H3,(H2,30,32,33,34)
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n/an/an/an/a 6n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455358
PNG
(7-(2,3-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)c1cccc(F)c1F
Show InChI InChI=1S/C27H32F2N8/c1-15-10-20(32-14-31-15)36-11-16-8-9-17(12-36)23(16)33-26-34-24(30-4)21-25(35-26)37(13-27(21,2)3)19-7-5-6-18(28)22(19)29/h5-7,10,14,16-17,23H,8-9,11-13H2,1-4H3,(H2,30,33,34,35)
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n/an/an/an/a 9n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455355
PNG
(2-((7-(4-Fluorophenyl)-2-(((1R,5S,8s)-3-(6-methoxy...)
Show SMILES COc1cc(cnn1)N1CC2CCC(C1)C2Nc1nc2N(CC(C)(C)c2c(NCCO)n1)c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN8O2/c1-28(2)16-37(20-8-6-19(29)7-9-20)26-23(28)25(30-10-11-38)33-27(34-26)32-24-17-4-5-18(24)15-36(14-17)21-12-22(39-3)35-31-13-21/h6-9,12-13,17-18,24,38H,4-5,10-11,14-16H2,1-3H3,(H2,30,32,33,34)
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n/an/an/an/a 9n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455353
PNG
(7-(2,4-Difluorophenyl)-N2-((1R,5S,8s)-3-(6-methoxy...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1F
Show InChI InChI=1S/C27H32F2N8O/c1-27(2)14-37(20-8-7-17(28)9-19(20)29)25-22(27)24(30-3)33-26(34-25)32-23-15-5-6-16(23)13-36(12-15)18-10-21(38-4)35-31-11-18/h7-11,15-16,23H,5-6,12-14H2,1-4H3,(H2,30,32,33,34)
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n/an/an/an/a 9n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455364
PNG
(7-(2,3-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2ccnc(OC)c2)nc2N(CC(C)(C)c12)c1cccc(F)c1F
Show InChI InChI=1S/C28H33F2N7O/c1-28(2)15-37(20-7-5-6-19(29)23(20)30)26-22(28)25(31-3)34-27(35-26)33-24-16-8-9-17(24)14-36(13-16)18-10-11-32-21(12-18)38-4/h5-7,10-12,16-17,24H,8-9,13-15H2,1-4H3,(H2,31,33,34,35)
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n/an/an/an/a 10n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455341
PNG
(N2-((1R,5S,8s)-3-(6-Chloropyridazin-4-yl)-3-azabic...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(Cl)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C26H30ClFN8/c1-26(2)14-36(18-8-6-17(28)7-9-18)24-21(26)23(29-3)32-25(33-24)31-22-15-4-5-16(22)13-35(12-15)19-10-20(27)34-30-11-19/h6-11,15-16,22H,4-5,12-14H2,1-3H3,(H2,29,31,32,33)
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n/an/an/an/a 11n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455354
PNG
(2-((7-(4-Fluorophenyl)-5,5-dimethyl-2-(((1R,5S,8s)...)
Show SMILES Cc1cc(ncn1)N1CC2CCC(C1)C2Nc1nc2N(CC(C)(C)c2c(NCCO)n1)c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN8O/c1-17-12-22(32-16-31-17)36-13-18-4-5-19(14-36)24(18)33-27-34-25(30-10-11-38)23-26(35-27)37(15-28(23,2)3)21-8-6-20(29)7-9-21/h6-9,12,16,18-19,24,38H,4-5,10-11,13-15H2,1-3H3,(H2,30,33,34,35)
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n/an/an/an/a 12n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455336
PNG
(7-(4-Fluorophenyl)-N2-((1R,5S,8s)-3-(6-methoxypyri...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C27H33FN8O/c1-27(2)15-36(19-9-7-18(28)8-10-19)25-22(27)24(29-3)32-26(33-25)31-23-16-5-6-17(23)14-35(13-16)20-11-21(37-4)34-30-12-20/h7-12,16-17,23H,5-6,13-15H2,1-4H3,(H2,29,31,32,33)
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n/an/an/an/a 12n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455344
PNG
(7-(4-Fluorophenyl)-N4-methyl-N2-((1R,5S,8s)-3-(6-m...)
Show SMILES Cc1cc(ncn1)N1CC2CCC(C1)C2Nc1nc2N(CCc2c(Cl)n1)c1ccc(F)cc1
Show InChI InChI=1S/C24H25ClFN7/c1-14-10-20(28-13-27-14)32-11-15-2-3-16(12-32)21(15)29-24-30-22(25)19-8-9-33(23(19)31-24)18-6-4-17(26)5-7-18/h4-7,10,13,15-16,21H,2-3,8-9,11-12H2,1H3,(H,29,30,31)
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n/an/an/an/a 12n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455334
PNG
(7-(4-Fluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S,8s)...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C27H33FN8/c1-16-11-21(31-15-30-16)35-12-17-5-6-18(13-35)23(17)32-26-33-24(29-4)22-25(34-26)36(14-27(22,2)3)20-9-7-19(28)8-10-20/h7-11,15,17-18,23H,5-6,12-14H2,1-4H3,(H2,29,32,33,34)
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n/an/an/an/a 14n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455349
PNG
(7-(2,4-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)cc1F
Show InChI InChI=1S/C27H32F2N8/c1-15-9-21(32-14-31-15)36-11-16-5-6-17(12-36)23(16)33-26-34-24(30-4)22-25(35-26)37(13-27(22,2)3)20-8-7-18(28)10-19(20)29/h7-10,14,16-17,23H,5-6,11-13H2,1-4H3,(H2,30,33,34,35)
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n/an/an/an/a 14n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455359
PNG
((S)- or (R)-7-(4-Fluorophenyl)-N4,5-dimethyl-N2-((...)
Show SMILES C[C@@H]1CN(c2nc(NC3C4CCC3CN(C4)c3cc(C)ncn3)nc(Cl)c12)c1ccc(F)cc1
Show InChI InChI=1S/C25H27ClFN7/c1-14-10-34(19-7-5-18(27)6-8-19)24-21(14)23(26)31-25(32-24)30-22-16-3-4-17(22)12-33(11-16)20-9-15(2)28-13-29-20/h5-9,13-14,16-17,22H,3-4,10-12H2,1-2H3,(H,30,31,32)/t14-,16?,17?,22?/m1/s1
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n/an/an/an/a 16n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455345
PNG
(7-(3,4-Difluorophenyl)-N2-((1R,5S,8s)-3-(6-methoxy...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H32F2N8O/c1-27(2)14-37(17-7-8-19(28)20(29)9-17)25-22(27)24(30-3)33-26(34-25)32-23-15-5-6-16(23)13-36(12-15)18-10-21(38-4)35-31-11-18/h7-11,15-16,23H,5-6,12-14H2,1-4H3,(H2,30,32,33,34)
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n/an/an/an/a 16n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455360
PNG
((R)- or (S)-7-(4-Fluorophenyl)-N4,5-dimethyl-N2-((...)
Show SMILES C[C@H]1CN(c2nc(NC3C4CCC3CN(C4)c3cc(C)ncn3)nc(Cl)c12)c1ccc(F)cc1
Show InChI InChI=1S/C25H27ClFN7/c1-14-10-34(19-7-5-18(27)6-8-19)24-21(14)23(26)31-25(32-24)30-22-16-3-4-17(22)12-33(11-16)20-9-15(2)28-13-29-20/h5-9,13-14,16-17,22H,3-4,10-12H2,1-2H3,(H,30,31,32)/t14-,16?,17?,22?/m0/s1
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n/an/an/an/a 17n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455346
PNG
(7-(4-Fluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S,8s)...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2ccnnc2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN8/c1-26(2)15-35(19-8-6-18(27)7-9-19)24-21(26)23(28-3)32-25(33-24)31-22-16-4-5-17(22)14-34(13-16)20-10-11-29-30-12-20/h6-12,16-17,22H,4-5,13-15H2,1-3H3,(H2,28,31,32,33)
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n/an/an/an/a 19n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455337
PNG
(7-(4-Fluorophenyl)-N2-((1R,5S,8s)-3-(2-methoxypyri...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2ccnc(OC)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C28H34FN7O/c1-28(2)16-36(20-9-7-19(29)8-10-20)26-23(28)25(30-3)33-27(34-26)32-24-17-5-6-18(24)15-35(14-17)21-11-12-31-22(13-21)37-4/h7-13,17-18,24H,5-6,14-16H2,1-4H3,(H2,30,32,33,34)
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n/an/an/an/a 23n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455343
PNG
(7-(3,4-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H32F2N8/c1-15-9-21(32-14-31-15)36-11-16-5-6-17(12-36)23(16)33-26-34-24(30-4)22-25(35-26)37(13-27(22,2)3)18-7-8-19(28)20(29)10-18/h7-10,14,16-17,23H,5-6,11-13H2,1-4H3,(H2,30,33,34,35)
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n/an/an/an/a 24n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455357
PNG
(8-(4-Fluorophenyl)-N2-((1R,5S,8s)-3-(6-methoxypyri...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CCC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN8O/c1-28(2)11-12-37(20-9-7-19(29)8-10-20)26-23(28)25(30-3)33-27(34-26)32-24-17-5-6-18(24)16-36(15-17)21-13-22(38-4)35-31-14-21/h7-10,13-14,17-18,24H,5-6,11-12,15-16H2,1-4H3,(H2,30,32,33,34)
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n/an/an/an/a 24n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455338
PNG
(N2-((1R,5S,8s)-3-(6-Chloropyrimidin-4-yl)-3-azabic...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(Cl)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C26H30ClFN8/c1-26(2)13-36(18-8-6-17(28)7-9-18)24-21(26)23(29-3)33-25(34-24)32-22-15-4-5-16(22)12-35(11-15)20-10-19(27)30-14-31-20/h6-10,14-16,22H,4-5,11-13H2,1-3H3,(H2,29,32,33,34)
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n/an/an/an/a 31n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455350
PNG
(7-(2,4-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2nnc(C)o2)nc2N(CC(C)(C)c12)c1ccc(F)cc1F
Show InChI InChI=1S/C25H30F2N8O/c1-13-32-33-24(36-13)34-10-14-5-6-15(11-34)20(14)29-23-30-21(28-4)19-22(31-23)35(12-25(19,2)3)18-8-7-16(26)9-17(18)27/h7-9,14-15,20H,5-6,10-12H2,1-4H3,(H2,28,29,30,31)
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n/an/an/an/a 31n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455342
PNG
(7-(3,4-Difluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2nnc(C)o2)nc2N(CC(C)(C)c12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H30F2N8O/c1-13-32-33-24(36-13)34-10-14-5-6-15(11-34)20(14)29-23-30-21(28-4)19-22(31-23)35(12-25(19,2)3)16-7-8-17(26)18(27)9-16/h7-9,14-15,20H,5-6,10-12H2,1-4H3,(H2,28,29,30,31)
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n/an/an/an/a 33n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455335
PNG
(7-(4-Fluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S,8s)...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2nnc(C)o2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C25H31FN8O/c1-14-31-32-24(35-14)33-11-15-5-6-16(12-33)20(15)28-23-29-21(27-4)19-22(30-23)34(13-25(19,2)3)18-9-7-17(26)8-10-18/h7-10,15-16,20H,5-6,11-13H2,1-4H3,(H2,27,28,29,30)
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n/an/an/an/a 34n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455356
PNG
(8-(4-Fluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S,8s)...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CCC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN8/c1-17-13-22(32-16-31-17)36-14-18-5-6-19(15-36)24(18)33-27-34-25(30-4)23-26(35-27)37(12-11-28(23,2)3)21-9-7-20(29)8-10-21/h7-10,13,16,18-19,24H,5-6,11-12,14-15H2,1-4H3,(H2,30,33,34,35)
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n/an/an/an/a 35n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455347
PNG
(7-(3,3-Difluorocyclobutyl)-N4,5,5-trimethyl-N2-((1...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(C)c2)nc2N(CC(C)(C)c12)C1CC(F)(F)C1
Show InChI InChI=1S/C25H34F2N8/c1-14-7-17(10-29-33-14)34-11-15-5-6-16(12-34)20(15)30-23-31-21(28-4)19-22(32-23)35(13-24(19,2)3)18-8-25(26,27)9-18/h7,10,15-16,18,20H,5-6,8-9,11-13H2,1-4H3,(H2,28,30,31,32)
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n/an/an/an/a 36n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455339
PNG
(7-(4-Fluorophenyl)-N2-((1R,5S,8s)-3-(6-methoxypyri...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(OC)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C27H33FN8O/c1-27(2)14-36(19-9-7-18(28)8-10-19)25-22(27)24(29-3)33-26(34-25)32-23-16-5-6-17(23)13-35(12-16)20-11-21(37-4)31-15-30-20/h7-11,15-17,23H,5-6,12-14H2,1-4H3,(H2,29,32,33,34)
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n/an/an/an/a 46n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455352
PNG
(N2-((1R,5S,8s)-3-(6-Methoxypyridazin-4-yl)-3-azabi...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CC(C)(C)c12)C12CC(C1)(C2)C(F)(F)F
Show InChI InChI=1S/C27H35F3N8O/c1-24(2)14-38(26-11-25(12-26,13-26)27(28,29)30)22-19(24)21(31-3)34-23(35-22)33-20-15-5-6-16(20)10-37(9-15)17-7-18(39-4)36-32-8-17/h7-8,15-16,20H,5-6,9-14H2,1-4H3,(H2,31,33,34,35)
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n/an/an/an/a 53n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM28960
PNG
((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...)
Show SMILES CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24Cl2N2O5S/c1-3-10-23-20(26)29-13-14(2)24(19-11-17(22)5-4-15(19)12-25)30(27,28)18-8-6-16(21)7-9-18/h4-9,11,14,25H,3,10,12-13H2,1-2H3,(H,23,26)/t14-/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455348
PNG
(7-(3,3-Difluorocyclobutyl)-N4,5,5-trimethyl-N2-((1...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2nnc(C)o2)nc2N(CC(C)(C)c12)C1CC(F)(F)C1
Show InChI InChI=1S/C23H32F2N8O/c1-12-30-31-21(34-12)32-9-13-5-6-14(10-32)17(13)27-20-28-18(26-4)16-19(29-20)33(11-22(16,2)3)15-7-23(24,25)8-15/h13-15,17H,5-11H2,1-4H3,(H2,26,27,28,29)
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n/an/an/an/a 104n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM455351
PNG
(N4,5,5-Trimethyl-N2-((1R,5S,8s)-3-(6-methylpyrimid...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)C12CC(C1)(C2)C(F)(F)F
Show InChI InChI=1S/C27H35F3N8/c1-15-7-18(33-14-32-15)37-8-16-5-6-17(9-37)20(16)34-23-35-21(31-4)19-22(36-23)38(13-24(19,2)3)26-10-25(11-26,12-26)27(28,29)30/h7,14,16-17,20H,5-6,8-13H2,1-4H3,(H2,31,34,35,36)
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n/an/an/an/a 111n/an/an/an/a



HOFFMANN-LA ROCHE, INC.

US Patent


Assay Description
Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...


US Patent US10730881 (2020)

More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50305469
PNG
(CHEMBL590830 | N-(3-(2-amino-4-cyclohexyl-1-methyl...)
Show SMILES CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2occc2C)c1
Show InChI InChI=1S/C22H26N4O3/c1-14-11-12-29-18(14)19(27)24-17-10-6-9-16(13-17)22(15-7-4-3-5-8-15)20(28)26(2)21(23)25-22/h6,9-13,15H,3-5,7-8H2,1-2H3,(H2,23,25)(H,24,27)
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n/an/an/an/a 180n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50314993
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)
Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1NCCO
Show InChI InChI=1S/C28H25ClN6O2/c29-24-4-2-1-3-23(24)27-12-11-26(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)35(27)17-20-7-10-25(28(30)34-20)33-13-14-36/h1-12,15-16,18,33,36H,13-14,17H2,(H2,30,34)
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n/an/an/an/a 190n/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50314994
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)
Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO
Show InChI InChI=1S/C28H24ClN5O3/c29-24-4-2-1-3-23(24)26-11-10-25(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)34(26)17-20-7-12-27(28(30)33-20)36-14-13-35/h1-12,15-16,18,35H,13-14,17H2,(H2,30,33)
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n/an/an/an/a 440n/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 530n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro reduction of Swedish NL mutant amyloid precursor protein activity expressed in CHO cells


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 640n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro elevation of beta C-terminal fragment (Ct-99) in CHO cells expressing mutant Swedish NL human APP


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50305467
PNG
(2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol...)
Show SMILES CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1
Show InChI InChI=1S/C16H21N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H2,17,18)
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n/an/an/an/a 810n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 1.03E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of amyloid precursor protein 695 activity in CHO cells expressing human APP


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50305483
PNG
(2-amino-4,4-dicyclohexyl-1-methyl-1H-imidazol-5(4H...)
Show SMILES CN1C(N)=NC(C2CCCCC2)(C2CCCCC2)C1=O
Show InChI InChI=1S/C16H27N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H2,17,18)
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n/an/an/an/a 1.03E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50315005
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
Show InChI InChI=1S/C27H28ClN3O/c1-2-3-6-18-32-22-14-12-20(13-15-22)25-16-17-26(23-9-4-5-10-24(23)28)31(25)19-21-8-7-11-27(29)30-21/h4-5,7-17H,2-3,6,18-19H2,1H3,(H2,29,30)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50315000
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-5-yloxy)phe...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)n1
Show InChI InChI=1S/C26H20ClN5O/c27-23-6-2-1-5-22(23)25-13-12-24(32(25)16-19-4-3-7-26(28)31-19)18-8-10-20(11-9-18)33-21-14-29-17-30-15-21/h1-15,17H,16H2,(H2,28,31)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50276908
PNG
(CHEMBL2088769 | Pentyl 3-(3,4-Dihydroxyphenyl)Acry...)
Show SMILES CCCCCOC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H18O4/c1-2-3-4-9-18-14(17)8-6-11-5-7-12(15)13(16)10-11/h5-8,10,15-16H,2-4,9H2,1H3/b8-6+
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n/an/an/an/a 2.58E+3n/an/an/an/a



Muroran Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method


Eur J Med Chem 138: 1066-1075 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.026
BindingDB Entry DOI: 10.7270/Q23J3GG8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50163999
PNG
(4-(4-Chloro-benzenesulfonyl)-4-o-tolyl-piperidine-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO4S/c1-3-27-20(24)23-14-12-21(13-15-23,19-7-5-4-6-16(19)2)28(25,26)18-10-8-17(22)9-11-18/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 2.70E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50276907
PNG
(CHEMBL4165903)
Show SMILES CCCCCCC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H20O3/c1-2-3-4-5-6-13(16)9-7-12-8-10-14(17)15(18)11-12/h7-11,17-18H,2-6H2,1H3/b9-7+
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n/an/an/an/a 2.82E+3n/an/an/an/a



Muroran Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method


Eur J Med Chem 138: 1066-1075 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.026
BindingDB Entry DOI: 10.7270/Q23J3GG8
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50314995
PNG
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)
Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1
Show InChI InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27-15-16-28(24-7-4-5-8-25(24)30)34(27)20-22-11-14-26(29(31)33-22)32-17-18-35/h4-5,7-16,32,35H,2-3,6,17-20H2,1H3,(H2,31,33)
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n/an/an/an/a 3.20E+3n/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 3.50E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 40 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50163999
PNG
(4-(4-Chloro-benzenesulfonyl)-4-o-tolyl-piperidine-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO4S/c1-3-27-20(24)23-14-12-21(13-15-23,19-7-5-4-6-16(19)2)28(25,26)18-10-8-17(22)9-11-18/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 3.70E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 42 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50300229
PNG
(1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-am...)
Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18)
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n/an/an/an/a 4.17E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50315001
PNG
(6-((2-(2-chlorophenyl)-5-(4-(pyridin-4-yloxy)pheny...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccncc3)cc2)n1
Show InChI InChI=1S/C27H21ClN4O/c28-24-6-2-1-5-23(24)26-13-12-25(32(26)18-20-4-3-7-27(29)31-20)19-8-10-21(11-9-19)33-22-14-16-30-17-15-22/h1-17H,18H2,(H2,29,31)
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n/an/an/an/a 4.80E+3n/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50315003
PNG
(CHEMBL1092227 | N-allyl-4-(1-((6-aminopyridin-2-yl...)
Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1
Show InChI InChI=1S/C26H24N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h2-16H,1,17-18H2,(H2,27,29)(H,28,31)
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n/an/an/an/a 4.80E+3n/an/an/an/a



Wyeth

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA


Bioorg Med Chem Lett 20: 2068-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50163996
PNG
(4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro effective concentration against beta amyloid protein 42 in ELISA


Bioorg Med Chem Lett 15: 1891-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.006
BindingDB Entry DOI: 10.7270/Q2N879B4
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50276923
PNG
(HEXYLCAFFEATE | Hexyl 1-(3'',4''-Dihydroxyphenyl)P...)
Show SMILES CCCCCCOC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H20O4/c1-2-3-4-5-10-19-15(18)9-7-12-6-8-13(16)14(17)11-12/h6-9,11,16-17H,2-5,10H2,1H3/b9-7+
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n/an/an/an/a 5.13E+3n/an/an/an/a



Muroran Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by inverted fluorescence microscopic method


Eur J Med Chem 138: 1066-1075 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.026
BindingDB Entry DOI: 10.7270/Q23J3GG8
More data for this
Ligand-Target Pair
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