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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'yeola' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150408
PNG
(CHEMBL182937 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...)
Show SMILES C[C@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N6O/c1-12(13-2-4-14(20)5-3-13)24-19-26-17(22)25-18(27-19)23-10-11-28-16-8-6-15(21)7-9-16/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150413
PNG
(CHEMBL413049 | N-[2-(4-Fluoro-phenyl)-ethyl]-N''-[...)
Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N6/c1-12(14-4-8-16(21)9-5-14)24-19-26-17(22)25-18(27-19)23-11-10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150407
PNG
(CHEMBL180086 | N-[1-(4-Fluoro-phenyl)-ethyl]-N''-(...)
Show SMILES CC(Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C17H19FN6S/c1-11(12-4-6-13(18)7-5-12)21-17-23-15(19)22-16(24-17)20-9-8-14-3-2-10-25-14/h2-7,10-11H,8-9H2,1H3,(H4,19,20,21,22,23,24)
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150412
PNG
(CHEMBL183862 | N-(2-Phenoxy-ethyl)-N''-((S)-1-phen...)
Show SMILES C[C@H](Nc1ncnc(NCCOc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C19H21N5O/c1-15(16-8-4-2-5-9-16)23-19-22-14-21-18(24-19)20-12-13-25-17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H2,20,21,22,23,24)/t15-/m0/s1
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150410
PNG
(CHEMBL182174 | N-(2-Phenoxy-ethyl)-N''-((S)-1-phen...)
Show SMILES C[C@H](Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H4,20,21,22,23,24,25)/t14-/m0/s1
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150417
PNG
(CHEMBL182322 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...)
Show SMILES CC(Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N6O/c1-12(13-2-4-14(20)5-3-13)24-19-26-17(22)25-18(27-19)23-10-11-28-16-8-6-15(21)7-9-16/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150405
PNG
(CHEMBL182797 | N-(2-Phenoxy-ethyl)-N''-(1-phenyl-e...)
Show SMILES CC(Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H4,20,21,22,23,24,25)
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150421
PNG
(CHEMBL183462 | N-[1-(4-Fluoro-phenyl)-ethyl]-N''-p...)
Show SMILES CC(Nc1nc(N)nc(NCCc2ccccc2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN6/c1-13(15-7-9-16(20)10-8-15)23-19-25-17(21)24-18(26-19)22-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H4,21,22,23,24,25,26)
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150406
PNG
(CHEMBL182418 | N-[(S)-1-(4-Fluoro-phenyl)-ethyl]-N...)
Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccccn2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN7/c1-12(13-5-7-14(19)8-6-13)23-18-25-16(20)24-17(26-18)22-11-9-15-4-2-3-10-21-15/h2-8,10,12H,9,11H2,1H3,(H4,20,22,23,24,25,26)/t12-/m0/s1
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150420
PNG
(6-Fluoro-N-(2-phenoxy-ethyl)-N''-((S)-1-phenyl-eth...)
Show SMILES C[C@H](Nc1nc(F)nc(NCCOc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C19H20FN5O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H2,21,22,23,24,25)/t14-/m0/s1
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50150407
PNG
(CHEMBL180086 | N-[1-(4-Fluoro-phenyl)-ethyl]-N''-(...)
Show SMILES CC(Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C17H19FN6S/c1-11(12-4-6-13(18)7-5-12)21-17-23-15(19)22-16(24-17)20-9-8-14-3-2-10-25-14/h2-7,10-11H,8-9H2,1H3,(H4,19,20,21,22,23,24)
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 2C receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50150413
PNG
(CHEMBL413049 | N-[2-(4-Fluoro-phenyl)-ethyl]-N''-[...)
Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N6/c1-12(14-4-8-16(21)9-5-14)24-19-26-17(22)25-18(27-19)23-11-10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 2C receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150414
PNG
(CHEMBL182840 | N,N-Dimethyl-N''-(2-phenoxy-ethyl)-...)
Show SMILES C[C@H](Nc1nc(NCCOc2ccccc2)nc(n1)N(C)C)c1ccccc1
Show InChI InChI=1S/C21H26N6O/c1-16(17-10-6-4-7-11-17)23-20-24-19(25-21(26-20)27(2)3)22-14-15-28-18-12-8-5-9-13-18/h4-13,16H,14-15H2,1-3H3,(H2,22,23,24,25,26)/t16-/m0/s1
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23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150411
PNG
(CHEMBL180946 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...)
Show SMILES C[C@@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N6O/c1-12(13-2-4-14(20)5-3-13)24-19-26-17(22)25-18(27-19)23-10-11-28-16-8-6-15(21)7-9-16/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m1/s1
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36n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150409
PNG
(6-Methyl-N-(2-phenoxy-ethyl)-N''-((S)-1-phenyl-eth...)
Show SMILES C[C@H](Nc1nc(C)nc(NCCOc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C20H23N5O/c1-15(17-9-5-3-6-10-17)22-20-24-16(2)23-19(25-20)21-13-14-26-18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3,(H2,21,22,23,24,25)/t15-/m0/s1
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54n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150416
PNG
(CHEMBL182121 | N-(1-Phenyl-ethyl)-N''-(3-phenyl-pr...)
Show SMILES CC(Nc1nc(N)nc(NCCCc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C20H24N6/c1-15(17-12-6-3-7-13-17)23-20-25-18(21)24-19(26-20)22-14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H4,21,22,23,24,25,26)
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60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50150406
PNG
(CHEMBL182418 | N-[(S)-1-(4-Fluoro-phenyl)-ethyl]-N...)
Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccccn2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN7/c1-12(13-5-7-14(19)8-6-13)23-18-25-16(20)24-17(26-18)22-11-9-15-4-2-3-10-21-15/h2-8,10,12H,9,11H2,1H3,(H4,20,22,23,24,25,26)/t12-/m0/s1
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160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 2C receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50150413
PNG
(CHEMBL413049 | N-[2-(4-Fluoro-phenyl)-ethyl]-N''-[...)
Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccc(F)cc2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N6/c1-12(14-4-8-16(21)9-5-14)24-19-26-17(22)25-18(27-19)23-11-10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1
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172n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 6 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50150407
PNG
(CHEMBL180086 | N-[1-(4-Fluoro-phenyl)-ethyl]-N''-(...)
Show SMILES CC(Nc1nc(N)nc(NCCc2cccs2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C17H19FN6S/c1-11(12-4-6-13(18)7-5-12)21-17-23-15(19)22-16(24-17)20-9-8-14-3-2-10-25-14/h2-7,10-11H,8-9H2,1H3,(H4,19,20,21,22,23,24)
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380n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 6 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50150408
PNG
(CHEMBL182937 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...)
Show SMILES C[C@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N6O/c1-12(13-2-4-14(20)5-3-13)24-19-26-17(22)25-18(27-19)23-10-11-28-16-8-6-15(21)7-9-16/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 2C receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50150410
PNG
(CHEMBL182174 | N-(2-Phenoxy-ethyl)-N''-((S)-1-phen...)
Show SMILES C[C@H](Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H4,20,21,22,23,24,25)/t14-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 2C receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150415
PNG
(CHEMBL360374 | N-(2-Phenoxy-ethyl)-N''-((R)-1-phen...)
Show SMILES C[C@@H](Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H4,20,21,22,23,24,25)/t14-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50150410
PNG
(CHEMBL182174 | N-(2-Phenoxy-ethyl)-N''-((S)-1-phen...)
Show SMILES C[C@H](Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C19H22N6O/c1-14(15-8-4-2-5-9-15)22-19-24-17(20)23-18(25-19)21-12-13-26-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H4,20,21,22,23,24,25)/t14-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 6 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50150408
PNG
(CHEMBL182937 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...)
Show SMILES C[C@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N6O/c1-12(13-2-4-14(20)5-3-13)24-19-26-17(22)25-18(27-19)23-10-11-28-16-8-6-15(21)7-9-16/h2-9,12H,10-11H2,1H3,(H4,22,23,24,25,26,27)/t12-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 6 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50150406
PNG
(CHEMBL182418 | N-[(S)-1-(4-Fluoro-phenyl)-ethyl]-N...)
Show SMILES C[C@H](Nc1nc(N)nc(NCCc2ccccn2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN7/c1-12(13-5-7-14(19)8-6-13)23-18-25-16(20)24-17(26-18)22-11-9-15-4-2-3-10-21-15/h2-8,10,12H,9,11H2,1H3,(H4,20,22,23,24,25,26)/t12-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 6 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150419
PNG
(CHEMBL185560 | N-[1-(4-Fluoro-phenyl)-ethyl]-N''-(...)
Show SMILES CC(Nc1nc(N)nc(NCCc2ccncc2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN7/c1-12(14-2-4-15(19)5-3-14)23-18-25-16(20)24-17(26-18)22-11-8-13-6-9-21-10-7-13/h2-7,9-10,12H,8,11H2,1H3,(H4,20,22,23,24,25,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50150418
PNG
(CHEMBL183347 | N-[1-(4-Fluoro-phenyl)-ethyl]-N''-(...)
Show SMILES CC(Nc1nc(N)nc(NCCc2cccnc2)n1)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN7/c1-12(14-4-6-15(19)7-5-14)23-18-25-16(20)24-17(26-18)22-10-8-13-3-2-9-21-11-13/h2-7,9,11-12H,8,10H2,1H3,(H4,20,22,23,24,25,26)
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>4.10E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.008
BindingDB Entry DOI: 10.7270/Q2GM86RJ
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477513
PNG
(CHEMBL392246)
Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:27|
Show InChI InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17?,18-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477516
PNG
(BMS-433796 | CHEMBL247361)
Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2C=NN(C)C1=O |r,c:27|
Show InChI InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17-,18-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477528
PNG
(CHEMBL397844)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:28|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)13-19(26-23(31)21(29)16-9-5-4-6-10-16)22(30)27-20-18-12-8-7-11-17(18)14-25-28(3)24(20)32/h4-12,14-15,19-21,29H,13H2,1-3H3,(H,26,31)(H,27,30)/t19-,20?,21-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477531
PNG
(CHEMBL396808)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:29|
Show InChI InChI=1S/C24H26F2N4O3/c1-14(2)8-20(28-21(31)11-15-9-17(25)12-18(26)10-15)23(32)29-22-19-7-5-4-6-16(19)13-27-30(3)24(22)33/h4-7,9-10,12-14,20,22H,8,11H2,1-3H3,(H,28,31)(H,29,32)/t20-,22?/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477536
PNG
(CHEMBL247155)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:26|
Show InChI InChI=1S/C22H26N4O3S/c1-14(2)10-18(24-19(27)11-15-8-9-30-13-15)21(28)25-20-17-7-5-4-6-16(17)12-23-26(3)22(20)29/h4-9,12-14,18,20H,10-11H2,1-3H3,(H,24,27)(H,25,28)/t18-,20?/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477521
PNG
(CHEMBL439210)
Show SMILES C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:23|
Show InChI InChI=1S/C19H20N4O3S/c1-12(21-16(24)9-13-7-8-27-11-13)18(25)22-17-15-6-4-3-5-14(15)10-20-23(2)19(17)26/h3-8,10-12,17H,9H2,1-2H3,(H,21,24)(H,22,25)/t12-,17?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477526
PNG
(CHEMBL429292)
Show SMILES C[C@H](NC(=O)C(=O)c1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:27|
Show InChI InChI=1S/C21H18F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17H,1-2H3,(H,25,30)(H,26,29)/t11-,17?/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477517
PNG
(CHEMBL246785)
Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C(C)=NN(C)C1=O |c:27|
Show InChI InChI=1S/C22H22F2N4O3/c1-12-17-6-4-5-7-18(17)20(22(31)28(3)27-12)26-21(30)13(2)25-19(29)10-14-8-15(23)11-16(24)9-14/h4-9,11,13,20H,10H2,1-3H3,(H,25,29)(H,26,30)/t13-,20?/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477534
PNG
(CHEMBL397394)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:26|
Show InChI InChI=1S/C22H26N4O3S/c1-14(2)11-18(24-19(27)12-16-8-6-10-30-16)21(28)25-20-17-9-5-4-7-15(17)13-23-26(3)22(20)29/h4-10,13-14,18,20H,11-12H2,1-3H3,(H,24,27)(H,25,28)/t18-,20?/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477511
PNG
(CHEMBL245385)
Show SMILES C[C@H](NC(=O)Cc1ccoc1)C(=O)NC1c2ccccc2C(C)=NN(C)C1=O |c:24|
Show InChI InChI=1S/C20H22N4O4/c1-12-15-6-4-5-7-16(15)18(20(27)24(3)23-12)22-19(26)13(2)21-17(25)10-14-8-9-28-11-14/h4-9,11,13,18H,10H2,1-3H3,(H,21,25)(H,22,26)/t13-,18?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477519
PNG
(CHEMBL397335)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:28|
Show InChI InChI=1S/C24H27FN4O3/c1-15(2)11-20(27-21(30)13-16-7-6-9-18(25)12-16)23(31)28-22-19-10-5-4-8-17(19)14-26-29(3)24(22)32/h4-10,12,14-15,20,22H,11,13H2,1-3H3,(H,27,30)(H,28,31)/t20-,22?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477530
PNG
(CHEMBL246575)
Show SMILES C[C@H](NC(=O)Cc1cccs1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:23|
Show InChI InChI=1S/C19H20N4O3S/c1-12(21-16(24)10-14-7-5-9-27-14)18(25)22-17-15-8-4-3-6-13(15)11-20-23(2)19(17)26/h3-9,11-12,17H,10H2,1-2H3,(H,21,24)(H,22,25)/t12-,17?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477524
PNG
(CHEMBL246784)
Show SMILES CC(C)N1N=Cc2ccccc2C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)C1=O |c:4|
Show InChI InChI=1S/C23H24F2N4O3/c1-13(2)29-23(32)21(19-7-5-4-6-16(19)12-26-29)28-22(31)14(3)27-20(30)10-15-8-17(24)11-18(25)9-15/h4-9,11-14,21H,10H2,1-3H3,(H,27,30)(H,28,31)/t14-,21?/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477533
PNG
(CHEMBL246369)
Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:26|
Show InChI InChI=1S/C21H20F2N4O3/c1-12(25-18(28)9-13-7-15(22)10-16(23)8-13)20(29)26-19-17-6-4-3-5-14(17)11-24-27(2)21(19)30/h3-8,10-12,19H,9H2,1-2H3,(H,25,28)(H,26,29)/t12-,19?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477535
PNG
(CHEMBL397547)
Show SMILES C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:25|
Show InChI InChI=1S/C21H21FN4O3/c1-13(24-18(27)11-14-6-5-8-16(22)10-14)20(28)25-19-17-9-4-3-7-15(17)12-23-26(2)21(19)29/h3-10,12-13,19H,11H2,1-2H3,(H,24,27)(H,25,28)/t13-,19?/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477518
PNG
(CHEMBL436997)
Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2CNN(C)C1=O
Show InChI InChI=1S/C21H22F2N4O3/c1-12(25-18(28)9-13-7-15(22)10-16(23)8-13)20(29)26-19-17-6-4-3-5-14(17)11-24-27(2)21(19)30/h3-8,10,12,19,24H,9,11H2,1-2H3,(H,25,28)(H,26,29)/t12-,19?/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477525
PNG
(CHEMBL247560)
Show SMILES [H][C@]1(NC(=O)[C@H](C)NC(=O)[C@H](O)c2cc(F)cc(F)c2)c2ccccc2C=NN(C)C1=O |c:28|
Show InChI InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17-,18+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477514
PNG
(CHEMBL397548)
Show SMILES C[C@H](NC(=O)Cc1cccc(Cl)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:25|
Show InChI InChI=1S/C21H21ClN4O3/c1-13(24-18(27)11-14-6-5-8-16(22)10-14)20(28)25-19-17-9-4-3-7-15(17)12-23-26(2)21(19)29/h3-10,12-13,19H,11H2,1-2H3,(H,24,27)(H,25,28)/t13-,19?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477537
PNG
(CHEMBL247154)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:28|
Show InChI InChI=1S/C24H27FN4O3/c1-15(2)12-20(27-21(30)13-16-8-10-18(25)11-9-16)23(31)28-22-19-7-5-4-6-17(19)14-26-29(3)24(22)32/h4-11,14-15,20,22H,12-13H2,1-3H3,(H,27,30)(H,28,31)/t20-,22?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477532
PNG
(CHEMBL247360)
Show SMILES CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:27|
Show InChI InChI=1S/C24H34N4O3/c1-16(2)13-20(26-21(29)14-17-9-5-4-6-10-17)23(30)27-22-19-12-8-7-11-18(19)15-25-28(3)24(22)31/h7-8,11-12,15-17,20,22H,4-6,9-10,13-14H2,1-3H3,(H,26,29)(H,27,30)/t20-,22?/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477527
PNG
(CHEMBL396164)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccccc1F)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:28|
Show InChI InChI=1S/C24H27FN4O3/c1-15(2)12-20(27-21(30)13-16-8-5-7-11-19(16)25)23(31)28-22-18-10-6-4-9-17(18)14-26-29(3)24(22)32/h4-11,14-15,20,22H,12-13H2,1-3H3,(H,27,30)(H,28,31)/t20-,22?/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477512
PNG
(CHEMBL265897)
Show SMILES C[C@H](NC(=O)Cc1ccco1)C(=O)NC1c2ccccc2C=NN(C)C1=O |c:23|
Show InChI InChI=1S/C19H20N4O4/c1-12(21-16(24)10-14-7-5-9-27-14)18(25)22-17-15-8-4-3-6-13(15)11-20-23(2)19(17)26/h3-9,11-12,17H,10H2,1-2H3,(H,21,24)(H,22,25)/t12-,17?/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477538
PNG
(CHEMBL396639)
Show SMILES [H][C@@]1(NC(=O)[C@H](C)NC(=O)[C@@H](O)c2cc(F)cc(F)c2)c2ccccc2C=NN(C)C1=O |c:28|
Show InChI InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17+,18-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.082
BindingDB Entry DOI: 10.7270/Q2XD14GF
More data for this
Ligand-Target Pair
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