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Compile Data Set for Download or QSAR

Found 4325 hits with Last Name = 'watson' and Initial = 'j'   
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 1D


(Homo sapiens (Human))
BDBM50413549
PNG
(CHEMBL513715)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-8-9-19-20(25-17)5-3-7-22(19)28-14-12-27(13-15-28)11-10-18-4-2-6-21-24(18)30-16-23(29)26-21/h2-9H,10-16H2,1H3,(H,26,29)
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0.0501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
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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0.0631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413077
PNG
(CHEMBL522257)
Show SMILES CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
Show InChI InChI=1S/C25H28N4O2/c1-18-6-8-20-21(26-18)4-3-5-22(20)29-14-12-28(13-15-29)11-10-19-7-9-24-23(16-19)27(2)25(30)17-31-24/h3-9,16H,10-15,17H2,1-2H3
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0.0794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413560
PNG
(CHEMBL469374)
Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C25H27FN4O2/c1-17-6-7-20-21(27-17)14-19(26)15-23(20)30-12-10-29(11-13-30)9-8-18-4-3-5-22-25(18)32-16-24(31)28(22)2/h3-7,14-15H,8-13,16H2,1-2H3
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0.0794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413555
PNG
(CHEMBL469568)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
Show InChI InChI=1S/C27H30N4O2/c1-19-8-11-22-23(28-19)5-3-6-24(22)30-16-14-29(15-17-30)13-12-20-4-2-7-25-27(20)33-18-26(32)31(25)21-9-10-21/h2-8,11,21H,9-10,12-18H2,1H3
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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413077
PNG
(CHEMBL522257)
Show SMILES CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
Show InChI InChI=1S/C25H28N4O2/c1-18-6-8-20-21(26-18)4-3-5-22(20)29-14-12-28(13-15-29)11-10-19-7-9-24-23(16-19)27(2)25(30)17-31-24/h3-9,16H,10-15,17H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413086
PNG
(CHEMBL484260)
Show SMILES Cc1cc(N2CCN(CCc3ccc4OCC(=O)Nc4c3)CC2)c2ccc(C)nc2c1
Show InChI InChI=1S/C25H28N4O2/c1-17-13-21-20(5-3-18(2)26-21)23(14-17)29-11-9-28(10-12-29)8-7-19-4-6-24-22(15-19)27-25(30)16-31-24/h3-6,13-15H,7-12,16H2,1-2H3,(H,27,30)
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0.126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413553
PNG
(CHEMBL472290)
Show SMILES CCN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C26H30N4O2/c1-3-30-24-9-4-6-20(26(24)32-18-25(30)31)12-13-28-14-16-29(17-15-28)23-8-5-7-22-21(23)11-10-19(2)27-22/h4-11H,3,12-18H2,1-2H3
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0.126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50128835
PNG
(CHEMBL3629360)
Show SMILES O[C@@H](CNCCc1ccc(CCN2CCC(Cn3cnc(n3)[C@@](O)(C3CCCCC3)c3ccccc3)CC2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1/C42H52N6O4/c49-37-17-15-35(36-16-18-39(51)45-40(36)37)38(50)27-43-23-19-30-11-13-31(14-12-30)20-24-47-25-21-32(22-26-47)28-48-29-44-41(46-48)42(52,33-7-3-1-4-8-33)34-9-5-2-6-10-34/h1,3-4,7-8,11-18,29,32,34,38,43,49-50,52H,2,5-6,9-10,19-28H2,(H,45,51)/t38-,42-/s2
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0.140n/an/an/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M2 receptor (unknown origin)


Bioorg Med Chem Lett 25: 5121-6 (2015)


BindingDB Entry DOI: 10.7270/Q2JQ12V7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413555
PNG
(CHEMBL469568)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
Show InChI InChI=1S/C27H30N4O2/c1-19-8-11-22-23(28-19)5-3-6-24(22)30-16-14-29(15-17-30)13-12-20-4-2-7-25-27(20)33-18-26(32)31(25)21-9-10-21/h2-8,11,21H,9-10,12-18H2,1H3
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413550
PNG
(CHEMBL469345)
Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C25H28N4O2/c1-18-9-10-20-21(26-18)6-4-7-22(20)29-15-13-28(14-16-29)12-11-19-5-3-8-23-25(19)31-17-24(30)27(23)2/h3-10H,11-17H2,1-2H3
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50413083
PNG
(CHEMBL484059)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3cccc4nc(ccc34)-c3ccccc3)cc2N1
Show InChI InChI=1S/C29H28N4O2/c34-29-20-35-28-12-9-21(19-26(28)31-29)13-14-32-15-17-33(18-16-32)27-8-4-7-25-23(27)10-11-24(30-25)22-5-2-1-3-6-22/h1-12,19H,13-18,20H2,(H,31,34)
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SerT expressed pig LLCPK cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
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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0.158n/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 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413078
PNG
(CHEMBL491839)
Show SMILES CC1(C)Cc2cccc(N3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)c2O1
Show InChI InChI=1S/C24H29N3O3/c1-24(2)15-18-4-3-5-20(23(18)30-24)27-12-10-26(11-13-27)9-8-17-6-7-21-19(14-17)25-22(28)16-29-21/h3-7,14H,8-13,15-16H2,1-2H3,(H,25,28)
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0.158n/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 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413084
PNG
(CHEMBL521506)
Show SMILES Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25ClN4O2/c1-16-2-4-19-20(26-16)13-18(25)14-22(19)29-10-8-28(9-11-29)7-6-17-3-5-23-21(12-17)27-24(30)15-31-23/h2-5,12-14H,6-11,15H2,1H3,(H,27,30)
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0.158n/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 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
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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0.158n/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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50128835
PNG
(CHEMBL3629360)
Show SMILES O[C@@H](CNCCc1ccc(CCN2CCC(Cn3cnc(n3)[C@@](O)(C3CCCCC3)c3ccccc3)CC2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1/C42H52N6O4/c49-37-17-15-35(36-16-18-39(51)45-40(36)37)38(50)27-43-23-19-30-11-13-31(14-12-30)20-24-47-25-21-32(22-26-47)28-48-29-44-41(46-48)42(52,33-7-3-1-4-8-33)34-9-5-2-6-10-34/h1,3-4,7-8,11-18,29,32,34,38,43,49-50,52H,2,5-6,9-10,19-28H2,(H,45,51)/t38-,42-/s2
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0.160n/an/an/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 25: 5121-6 (2015)


BindingDB Entry DOI: 10.7270/Q2JQ12V7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413553
PNG
(CHEMBL472290)
Show SMILES CCN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C26H30N4O2/c1-3-30-24-9-4-6-20(26(24)32-18-25(30)31)12-13-28-14-16-29(17-15-28)23-8-5-7-22-21(23)11-10-19(2)27-22/h4-11H,3,12-18H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413560
PNG
(CHEMBL469374)
Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C25H27FN4O2/c1-17-6-7-20-21(27-17)14-19(26)15-23(20)30-12-10-29(11-13-30)9-8-18-4-3-5-22-25(18)32-16-24(31)28(22)2/h3-7,14-15H,8-13,16H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413561
PNG
(CHEMBL513875)
Show SMILES C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r|
Show InChI InChI=1S/C26H29FN4O2/c1-17-7-8-21-22(28-17)13-20(27)14-24(21)31-12-11-30(18(2)15-31)10-9-19-5-4-6-23-26(19)33-16-25(32)29(23)3/h4-8,13-14,18H,9-12,15-16H2,1-3H3/t18-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
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 1D


(Homo sapiens (Human))
BDBM50413075
PNG
(CHEMBL489394)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cc(F)c3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-5-6-18-20(26-16)3-2-4-22(18)29-11-9-28(10-12-29)8-7-17-13-19(25)24-21(14-17)27-23(30)15-31-24/h2-6,13-14H,7-12,15H2,1H3,(H,27,30)
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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 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413085
PNG
(CHEMBL485491)
Show SMILES Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-2-4-19-20(26-16)13-18(25)14-22(19)29-10-8-28(9-11-29)7-6-17-3-5-23-21(12-17)27-24(30)15-31-23/h2-5,12-14H,6-11,15H2,1H3,(H,27,30)
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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 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413087
PNG
(CHEMBL497980)
Show SMILES Cc1ccc2c(ccc(Cl)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25ClN4O2/c1-16-2-4-18-21(6-5-19(25)24(18)26-16)29-12-10-28(11-13-29)9-8-17-3-7-22-20(14-17)27-23(30)15-31-22/h2-7,14H,8-13,15H2,1H3,(H,27,30)
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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 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
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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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413079
PNG
(CHEMBL444398)
Show SMILES Cc1cc2c(cccc2[nH]1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H26N4O2/c1-16-13-18-19(24-16)3-2-4-21(18)27-11-9-26(10-12-27)8-7-17-5-6-22-20(14-17)25-23(28)15-29-22/h2-6,13-14,24H,7-12,15H2,1H3,(H,25,28)
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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 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413074
PNG
(CHEMBL496317)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cc3NC(=O)COc3cc2F)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-5-6-18-20(26-16)3-2-4-22(18)29-11-9-28(10-12-29)8-7-17-13-21-23(14-19(17)25)31-15-24(30)27-21/h2-6,13-14H,7-12,15H2,1H3,(H,27,30)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413554
PNG
(CHEMBL469567)
Show SMILES CC(C)N1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C27H32N4O2/c1-19(2)31-25-9-4-6-21(27(25)33-18-26(31)32)12-13-29-14-16-30(17-15-29)24-8-5-7-23-22(24)11-10-20(3)28-23/h4-11,19H,12-18H2,1-3H3
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413549
PNG
(CHEMBL513715)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-8-9-19-20(25-17)5-3-7-22(19)28-14-12-27(13-15-28)11-10-18-4-2-6-21-24(18)30-16-23(29)26-21/h2-9H,10-16H2,1H3,(H,26,29)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413551
PNG
(CHEMBL512724)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3NC(=O)COc3c2)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)10-9-18-6-8-21-23(15-18)30-16-24(29)26-21/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
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
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 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 1D


(Homo sapiens (Human))
BDBM50413074
PNG
(CHEMBL496317)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cc3NC(=O)COc3cc2F)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-5-6-18-20(26-16)3-2-4-22(18)29-11-9-28(10-12-29)8-7-17-13-21-23(14-19(17)25)31-15-24(30)27-21/h2-6,13-14H,7-12,15H2,1H3,(H,27,30)
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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 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
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]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413081
PNG
(CHEMBL523095)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3cccc4cccnc34)cc2N1
Show InChI InChI=1S/C23H24N4O2/c28-22-16-29-21-7-6-17(15-19(21)25-22)8-10-26-11-13-27(14-12-26)20-5-1-3-18-4-2-9-24-23(18)20/h1-7,9,15H,8,10-14,16H2,(H,25,28)
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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 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413082
PNG
(CHEMBL490211)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1
Show InChI InChI=1S/C23H24N4O2/c28-22-16-29-21-6-5-17(15-20(21)25-22)8-10-26-11-13-27(14-12-26)23-19-4-2-1-3-18(19)7-9-24-23/h1-7,9,15H,8,10-14,16H2,(H,25,28)
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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 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413068
PNG
(CHEMBL497979)
Show SMILES Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-2-4-18-21(6-5-19(25)24(18)26-16)29-12-10-28(11-13-29)9-8-17-3-7-22-20(14-17)27-23(30)15-31-22/h2-7,14H,8-13,15H2,1H3,(H,27,30)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413073
PNG
(CHEMBL496520)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2F)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-5-7-18-19(26-16)3-2-4-20(18)29-13-11-28(12-14-29)10-9-17-6-8-21-24(23(17)25)27-22(30)15-31-21/h2-8H,9-15H2,1H3,(H,27,30)
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50128835
PNG
(CHEMBL3629360)
Show SMILES O[C@@H](CNCCc1ccc(CCN2CCC(Cn3cnc(n3)[C@@](O)(C3CCCCC3)c3ccccc3)CC2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
Show InChI InChI=1/C42H52N6O4/c49-37-17-15-35(36-16-18-39(51)45-40(36)37)38(50)27-43-23-19-30-11-13-31(14-12-30)20-24-47-25-21-32(22-26-47)28-48-29-44-41(46-48)42(52,33-7-3-1-4-8-33)34-9-5-2-6-10-34/h1,3-4,7-8,11-18,29,32,34,38,43,49-50,52H,2,5-6,9-10,19-28H2,(H,45,51)/t38-,42-/s2
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0.290n/an/an/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopolamine from human cloned muscarinic M3 receptor by dilution method


Bioorg Med Chem Lett 25: 5121-6 (2015)


BindingDB Entry DOI: 10.7270/Q2JQ12V7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50343161
PNG
(5-((R)-2-(4-(4-(3-((R)-3-(diisopropylamino)-1-phen...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C |r|
Show InChI InChI=1S/C44H55N3O5/c1-30(2)47(31(3)4)26-24-36(34-11-6-5-7-12-34)39-28-33(15-20-40(39)48)10-8-9-27-52-35-16-13-32(14-17-35)23-25-45-29-42(50)37-18-21-41(49)44-38(37)19-22-43(51)46-44/h5-7,11-22,28,30-31,36,42,45,48-50H,8-10,23-27,29H2,1-4H3,(H,46,51)/t36-,42+/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Pfizer

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopolamine from human cloned muscarinic M3 receptor by dilution method


Bioorg Med Chem Lett 25: 5121-6 (2015)


BindingDB Entry DOI: 10.7270/Q2JQ12V7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50413083
PNG
(CHEMBL484059)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3cccc4nc(ccc34)-c3ccccc3)cc2N1
Show InChI InChI=1S/C29H28N4O2/c34-29-20-35-28-12-9-21(19-26(28)31-29)13-14-32-15-17-33(18-16-32)27-8-4-7-25-23(27)10-11-24(30-25)22-5-2-1-3-6-22/h1-12,19H,13-18,20H2,(H,31,34)
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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 5HT1B receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413561
PNG
(CHEMBL513875)
Show SMILES C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r|
Show InChI InChI=1S/C26H29FN4O2/c1-17-7-8-21-22(28-17)13-20(27)14-24(21)31-12-11-30(18(2)15-31)10-9-19-5-4-6-23-26(19)33-16-25(32)29(23)3/h4-8,13-14,18H,9-12,15-16H2,1-3H3/t18-/m1/s1
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50413558
PNG
(CHEMBL511815)
Show SMILES C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
Show InChI InChI=1S/C26H30N4O2/c1-18-10-11-21-22(27-18)7-5-8-23(21)30-15-14-29(19(2)16-30)13-12-20-6-4-9-24-26(20)32-17-25(31)28(24)3/h4-11,19H,12-17H2,1-3H3/t19-/m1/s1
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413550
PNG
(CHEMBL469345)
Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C25H28N4O2/c1-18-9-10-20-21(26-18)6-4-7-22(20)29-15-13-28(14-16-29)12-11-19-5-3-8-23-25(19)31-17-24(30)27(23)2/h3-10H,11-17H2,1-2H3
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413556
PNG
(CHEMBL469995)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC4CC4)C(=O)COc23)CC1
Show InChI InChI=1S/C28H32N4O2/c1-20-8-11-23-24(29-20)5-3-6-25(23)31-16-14-30(15-17-31)13-12-22-4-2-7-26-28(22)34-19-27(33)32(26)18-21-9-10-21/h2-8,11,21H,9-10,12-19H2,1H3
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50413077
PNG
(CHEMBL522257)
Show SMILES CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
Show InChI InChI=1S/C25H28N4O2/c1-18-6-8-20-21(26-18)4-3-5-22(20)29-14-12-28(13-15-29)11-10-19-7-9-24-23(16-19)27(2)25(30)17-31-24/h3-9,16H,10-15,17H2,1-2H3
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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 5HT1D receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
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))
BDBM50413084
PNG
(CHEMBL521506)
Show SMILES Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25ClN4O2/c1-16-2-4-19-20(26-16)13-18(25)14-22(19)29-10-8-28(9-11-29)7-6-17-3-5-23-21(12-17)27-24(30)15-31-23/h2-5,12-14H,6-11,15H2,1H3,(H,27,30)
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 5653-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.084
BindingDB Entry DOI: 10.7270/Q2BR8TC6
More data for this
Ligand-Target Pair
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