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Compile Data Set for Download or QSAR

Found 347 hits with Last Name = 'scott' and Initial = 'cm'   
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413698
PNG
(CHEMBL459282)
Show SMILES CN1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C30H39N3O/c1-23-9-10-28-29(31-23)7-4-8-30(28)34-20-19-33-17-11-24(12-18-33)21-25-5-3-6-27(22-25)26-13-15-32(2)16-14-26/h3-10,22,24,26H,11-21H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412441
PNG
(CHEMBL490417 | SB-744185)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human cloned 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5581-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410424
PNG
(CHEMBL199088)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(nc4)C(F)(F)F)c3cc12
Show InChI InChI=1S/C23H22F3N5O/c1-29-8-10-30(11-9-29)21-18-13-19-16(12-15(18)4-6-27-21)5-7-31(19)22(32)17-2-3-20(28-14-17)23(24,25)26/h2-4,6,12-14H,5,7-11H2,1H3
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412441
PNG
(CHEMBL490417 | SB-744185)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human cloned 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5581-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412126
PNG
(CHEMBL525362)
Show SMILES CCNC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C27H34N4O2/c1-3-28-27(32)30-23-7-4-6-22(19-23)18-21-12-14-31(15-13-21)16-17-33-26-9-5-8-25-24(26)11-10-20(2)29-25/h4-11,19,21H,3,12-18H2,1-2H3,(H2,28,30,32)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410428
PNG
(CHEMBL380812)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn5ccccc45)c3cc12
Show InChI InChI=1S/C24H24N6O/c1-27-10-12-28(13-11-27)23-19-15-22-18(14-17(19)5-7-25-23)6-9-29(22)24(31)20-16-26-30-8-3-2-4-21(20)30/h2-5,7-8,14-16H,6,9-13H2,1H3
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410426
PNG
(CHEMBL370852)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12
Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-20-15-21-18(14-17(20)6-8-25-22)7-9-28(21)23(29)16-2-4-19(24)5-3-16/h2-6,8,14-15H,7,9-13H2,1H3
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412114
PNG
(CHEMBL183460 | SB-649915)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Show InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412121
PNG
(CHEMBL506942)
Show SMILES CN(C(C)=O)c1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C26H32N4O2/c1-20-10-11-24-25(27-20)8-5-9-26(24)32-17-16-29-12-14-30(15-13-29)19-22-6-4-7-23(18-22)28(3)21(2)31/h4-11,18H,12-17,19H2,1-3H3
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412124
PNG
(CHEMBL495213)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C27H35N3O3S/c1-20(2)34(31,32)29-24-7-4-6-23(19-24)18-22-12-14-30(15-13-22)16-17-33-27-9-5-8-26-25(27)11-10-21(3)28-26/h4-11,19-20,22,29H,12-18H2,1-3H3
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0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50412441
PNG
(CHEMBL490417 | SB-744185)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human cloned 5HT1B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5581-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410424
PNG
(CHEMBL199088)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(nc4)C(F)(F)F)c3cc12
Show InChI InChI=1S/C23H22F3N5O/c1-29-8-10-30(11-9-29)21-18-13-19-16(12-15(18)4-6-27-21)5-7-31(19)22(32)17-2-3-20(28-14-17)23(24,25)26/h2-4,6,12-14H,5,7-11H2,1H3
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410426
PNG
(CHEMBL370852)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12
Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-20-15-21-18(14-17(20)6-8-25-22)7-9-28(21)23(29)16-2-4-19(24)5-3-16/h2-6,8,14-15H,7,9-13H2,1H3
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413691
PNG
(CHEMBL458199)
Show SMILES CN1CCN(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C29H38N4O/c1-23-9-10-27-28(30-23)7-4-8-29(27)34-20-19-32-13-11-24(12-14-32)21-25-5-3-6-26(22-25)33-17-15-31(2)16-18-33/h3-10,22,24H,11-21H2,1-2H3
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410427
PNG
(CHEMBL194647)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12
Show InChI InChI=1S/C24H23N5O/c1-27-10-12-28(13-11-27)23-21-15-22-20(14-19(21)6-8-26-23)7-9-29(22)24(30)18-4-2-17(16-25)3-5-18/h2-6,8,14-15H,7,9-13H2,1H3
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412132
PNG
(CHEMBL497963)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
Show InChI InChI=1S/C25H31N3O3S/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-13-11-20(12-14-28)17-21-5-3-6-22(18-21)27-32(2,29)30/h3-10,18,20,27H,11-17H2,1-2H3
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412118
PNG
(CHEMBL494806)
Show SMILES CC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C25H30N4O2/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-11-13-29(14-12-28)18-21-5-3-6-22(17-21)27-20(2)30/h3-10,17H,11-16,18H2,1-2H3,(H,27,30)
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412134
PNG
(CHEMBL525712)
Show SMILES CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C26H31N3O2/c1-19-9-10-24-25(27-19)7-4-8-26(24)31-16-15-29-13-11-21(12-14-29)17-22-5-3-6-23(18-22)28-20(2)30/h3-10,18,21H,11-17H2,1-2H3,(H,28,30)
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412132
PNG
(CHEMBL497963)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
Show InChI InChI=1S/C25H31N3O3S/c1-19-9-10-23-24(26-19)7-4-8-25(23)31-16-15-28-13-11-20(12-14-28)17-21-5-3-6-22(18-21)27-32(2,29)30/h3-10,18,20,27H,11-17H2,1-2H3
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412130
PNG
(CHEMBL498354)
Show SMILES CCC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C27H33N3O2/c1-3-27(31)29-23-7-4-6-22(19-23)18-21-12-14-30(15-13-21)16-17-32-26-9-5-8-25-24(26)11-10-20(2)28-25/h4-11,19,21H,3,12-18H2,1-2H3,(H,29,31)
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50412434
PNG
(CHEMBL483365)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCCCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C26H30N4O2/c1-19-8-10-21-22(27-19)6-4-7-24(21)30-15-13-29(14-16-30)12-3-2-5-20-9-11-25-23(17-20)28-26(31)18-32-25/h4,6-11,17H,2-3,5,12-16,18H2,1H3,(H,28,31)
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human cloned 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5581-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.110
BindingDB Entry DOI: 10.7270/Q2KH0PKZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410430
PNG
(CHEMBL372743)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(C)CC4)c3cc12
Show InChI InChI=1S/C29H29N7O/c1-3-26-25(19-32-36(26)23-6-4-20(18-30)5-7-23)29(37)35-11-9-22-16-21-8-10-31-28(24(21)17-27(22)35)34-14-12-33(2)13-15-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413696
PNG
(CHEMBL514429)
Show SMILES CN1CCCN(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C30H40N4O/c1-24-10-11-28-29(31-24)8-4-9-30(28)35-21-20-33-16-12-25(13-17-33)22-26-6-3-7-27(23-26)34-15-5-14-32(2)18-19-34/h3-4,6-11,23,25H,5,12-22H2,1-2H3
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413688
PNG
(CHEMBL517170)
Show SMILES C[C@@H]1CN(CCN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
Show InChI InChI=1S/C29H38N4O/c1-22-9-10-27-28(31-22)7-4-8-29(27)34-18-17-32-14-11-24(12-15-32)19-25-5-3-6-26(20-25)33-16-13-30-23(2)21-33/h3-10,20,23-24,30H,11-19,21H2,1-2H3/t23-/m1/s1
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410440
PNG
(CHEMBL198975)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12
Show InChI InChI=1S/C27H28N6O/c1-19-24(18-29-33(19)22-6-4-3-5-7-22)27(34)32-11-9-21-16-20-8-10-28-26(23(20)17-25(21)32)31-14-12-30(2)13-15-31/h3-8,10,16-18H,9,11-15H2,1-2H3
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410440
PNG
(CHEMBL198975)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12
Show InChI InChI=1S/C27H28N6O/c1-19-24(18-29-33(19)22-6-4-3-5-7-22)27(34)32-11-9-21-16-20-8-10-28-26(23(20)17-25(21)32)31-14-12-30(2)13-15-31/h3-8,10,16-18H,9,11-15H2,1-2H3
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410440
PNG
(CHEMBL198975)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12
Show InChI InChI=1S/C27H28N6O/c1-19-24(18-29-33(19)22-6-4-3-5-7-22)27(34)32-11-9-21-16-20-8-10-28-26(23(20)17-25(21)32)31-14-12-30(2)13-15-31/h3-8,10,16-18H,9,11-15H2,1-2H3
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410437
PNG
(CHEMBL370625)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cccc5ncccc45)c3cc12
Show InChI InChI=1S/C26H25N5O/c1-29-12-14-30(15-13-29)25-22-17-24-19(16-18(22)7-10-28-25)8-11-31(24)26(32)21-4-2-6-23-20(21)5-3-9-27-23/h2-7,9-10,16-17H,8,11-15H2,1H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410427
PNG
(CHEMBL194647)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12
Show InChI InChI=1S/C24H23N5O/c1-27-10-12-28(13-11-27)23-21-15-22-20(14-19(21)6-8-26-23)7-9-29(22)24(30)18-4-2-17(16-25)3-5-18/h2-6,8,14-15H,7,9-13H2,1H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410426
PNG
(CHEMBL370852)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12
Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-20-15-21-18(14-17(20)6-8-25-22)7-9-28(21)23(29)16-2-4-19(24)5-3-16/h2-6,8,14-15H,7,9-13H2,1H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413687
PNG
(CHEMBL461670)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
Show InChI InChI=1S/C30H40N4O/c1-22-10-11-28-29(32-22)8-5-9-30(28)35-17-16-33-14-12-25(13-15-33)18-26-6-4-7-27(19-26)34-20-23(2)31-24(3)21-34/h4-11,19,23-25,31H,12-18,20-21H2,1-3H3/t23-,24+
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY100635 from human recombinant 5HT1A receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412120
PNG
(CHEMBL425190 | SB-714786)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
Show InChI InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410428
PNG
(CHEMBL380812)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn5ccccc45)c3cc12
Show InChI InChI=1S/C24H24N6O/c1-27-10-12-28(13-11-27)23-19-15-22-18(14-17(19)5-7-25-23)6-9-29(22)24(31)20-16-26-30-8-3-2-4-21(20)30/h2-5,7-8,14-16H,6,9-13H2,1H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413694
PNG
(CHEMBL459061)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCCC4)CC3)cccc2n1
Show InChI InChI=1S/C29H37N3O/c1-23-11-12-27-28(30-23)9-6-10-29(27)33-20-19-31-17-13-24(14-18-31)21-25-7-5-8-26(22-25)32-15-3-2-4-16-32/h5-12,22,24H,2-4,13-21H2,1H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413690
PNG
(CHEMBL457982)
Show SMILES C[C@@H]1CN([C@@H](C)CN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
Show InChI InChI=1S/C30H40N4O/c1-22-10-11-28-29(32-22)8-5-9-30(28)35-17-16-33-14-12-25(13-15-33)18-26-6-4-7-27(19-26)34-21-23(2)31-20-24(34)3/h4-11,19,23-25,31H,12-18,20-21H2,1-3H3/t23-,24+/m1/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413689
PNG
(CHEMBL518545)
Show SMILES C[C@H]1CN(CCN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
Show InChI InChI=1S/C29H38N4O/c1-22-9-10-27-28(31-22)7-4-8-29(27)34-18-17-32-14-11-24(12-15-32)19-25-5-3-6-26(20-25)33-16-13-30-23(2)21-33/h3-10,20,23-24,30H,11-19,21H2,1-2H3/t23-/m0/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412127
PNG
(CHEMBL496098)
Show SMILES CN(C)CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C28H36N4O2/c1-21-10-11-25-26(29-21)8-5-9-27(25)34-17-16-32-14-12-22(13-15-32)18-23-6-4-7-24(19-23)30-28(33)20-31(2)3/h4-11,19,22H,12-18,20H2,1-3H3,(H,30,33)
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50410427
PNG
(CHEMBL194647)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12
Show InChI InChI=1S/C24H23N5O/c1-27-10-12-28(13-11-27)23-21-15-22-20(14-19(21)6-8-26-23)7-9-29(22)24(30)18-4-2-17(16-25)3-5-18/h2-6,8,14-15H,7,9-13H2,1H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-5-HT or [3H]8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413691
PNG
(CHEMBL458199)
Show SMILES CN1CCN(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C29H38N4O/c1-23-9-10-27-28(30-23)7-4-8-29(27)34-20-19-32-13-11-24(12-14-32)21-25-5-3-6-26(22-25)33-17-15-31(2)16-18-33/h3-10,22,24H,11-21H2,1-2H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]WAY100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50410432
PNG
(CHEMBL197947)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@@H]5C4)c3cc12
Show InChI InChI=1S/C31H31N7O/c1-2-28-27(19-34-38(28)24-7-5-21(18-32)6-8-24)31(39)37-13-10-23-16-22-9-11-33-30(26(22)17-29(23)37)36-15-14-35-12-3-4-25(35)20-36/h5-9,11,16-17,19,25H,2-4,10,12-15,20H2,1H3/t25-/m1/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1D receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410430
PNG
(CHEMBL372743)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(C)CC4)c3cc12
Show InChI InChI=1S/C29H29N7O/c1-3-26-25(19-32-36(26)23-6-4-20(18-30)5-7-23)29(37)35-11-9-22-16-21-8-10-31-28(24(21)17-27(22)35)34-14-12-33(2)13-15-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410432
PNG
(CHEMBL197947)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@@H]5C4)c3cc12
Show InChI InChI=1S/C31H31N7O/c1-2-28-27(19-34-38(28)24-7-5-21(18-32)6-8-24)31(39)37-13-10-23-16-22-9-11-33-30(26(22)17-29(23)37)36-15-14-35-12-3-4-25(35)20-36/h5-9,11,16-17,19,25H,2-4,10,12-15,20H2,1H3/t25-/m1/s1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413702
PNG
(CHEMBL462916)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccncc4)CC3)cccc2n1
Show InChI InChI=1S/C29H31N3O/c1-22-8-9-27-28(31-22)6-3-7-29(27)33-19-18-32-16-12-23(13-17-32)20-24-4-2-5-26(21-24)25-10-14-30-15-11-25/h2-11,14-15,21,23H,12-13,16-20H2,1H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412127
PNG
(CHEMBL496098)
Show SMILES CN(C)CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C28H36N4O2/c1-21-10-11-25-26(29-21)8-5-9-27(25)34-17-16-32-14-12-22(13-15-32)18-23-6-4-7-24(19-23)30-28(33)20-31(2)3/h4-11,19,22H,12-18,20H2,1-3H3,(H,30,33)
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50412119
PNG
(CHEMBL494631)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc2n1
Show InChI InChI=1S/C23H27N3O/c1-19-10-11-21-22(24-19)8-5-9-23(21)27-17-16-25-12-14-26(15-13-25)18-20-6-3-2-4-7-20/h2-11H,12-18H2,1H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human recombinant 5HT1D receptor


J Med Chem 51: 2887-90 (2008)


Article DOI: 10.1021/jm8001444
BindingDB Entry DOI: 10.7270/Q2DV1M4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413699
PNG
(CHEMBL459067)
Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)C4CCNCC4)CC3)cccc2n1
Show InChI InChI=1S/C29H37N3O/c1-22-8-9-27-28(31-22)6-3-7-29(27)33-19-18-32-16-12-23(13-17-32)20-24-4-2-5-26(21-24)25-10-14-30-15-11-25/h2-9,21,23,25,30H,10-20H2,1H3
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 428-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.052
BindingDB Entry DOI: 10.7270/Q2RV0PW0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410429
PNG
(CHEMBL194809)
Show SMILES CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccccc4Cl)c3cc12
Show InChI InChI=1S/C23H23ClN4O/c1-26-10-12-27(13-11-26)22-19-15-21-17(14-16(19)6-8-25-22)7-9-28(21)23(29)18-4-2-3-5-20(18)24/h2-6,8,14-15H,7,9-13H2,1H3
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Mean binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT or [3H]-8-OH-DPAT as the radioligand


Bioorg Med Chem Lett 15: 4370-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.042
BindingDB Entry DOI: 10.7270/Q2319X3T
More data for this
Ligand-Target Pair
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