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Compile Data Set for Download or QSAR

Found 1552 hits with Last Name = 'heightman' and Initial = 'td'   
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 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))
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 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 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))
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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219087
PNG
(CHEMBL97637)
Show SMILES O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(cc1)-c1ccccc1
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219087
PNG
(CHEMBL97637)
Show SMILES O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(cc1)-c1ccccc1
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219081
PNG
(CHEMBL261917)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219081
PNG
(CHEMBL261917)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
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))
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 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 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 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 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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219089
PNG
(CHEMBL318018)
Show SMILES Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219084
PNG
(CHEMBL97596)
Show SMILES Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
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))
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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219083
PNG
(CHEMBL316081)
Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219084
PNG
(CHEMBL97596)
Show SMILES Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219089
PNG
(CHEMBL318018)
Show SMILES Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219083
PNG
(CHEMBL316081)
Show SMILES CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
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 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 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 1A (5-HT1A)


(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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1.26n/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))
BDBM50410434
PNG
(CHEMBL372651)
Show SMILES CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCNCC4)c3cc12
Show InChI InChI=1S/C28H27N7O/c1-2-25-24(18-32-35(25)22-5-3-19(17-29)4-6-22)28(36)34-12-8-21-15-20-7-9-31-27(23(20)16-26(21)34)33-13-10-30-11-14-33/h3-7,9,15-16,18,30H,2,8,10-14H2,1H3
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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 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))
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
5-hydroxytryptamine receptor 1D


(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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1.26n/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))
BDBM50410436
PNG
(CHEMBL382078)
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-/m0/s1
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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 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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219086
PNG
(CHEMBL98965)
Show SMILES CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219085
PNG
(CHEMBL97211)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219090
PNG
(CHEMBL95388)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219082
PNG
(CHEMBL95823)
Show SMILES C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219086
PNG
(CHEMBL98965)
Show SMILES CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219082
PNG
(CHEMBL95823)
Show SMILES C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219085
PNG
(CHEMBL97211)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410433
PNG
(CHEMBL426285)
Show SMILES CCN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4CC)-c4ccc(cc4)C#N)c3cc12
Show InChI InChI=1S/C30H31N7O/c1-3-27-26(20-33-37(27)24-7-5-21(19-31)6-8-24)30(38)36-12-10-23-17-22-9-11-32-29(25(22)18-28(23)36)35-15-13-34(4-2)14-16-35/h5-9,11,17-18,20H,3-4,10,12-16H2,1-2H3
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1.58n/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))
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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1.58n/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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219096
PNG
(CHEMBL99982)
Show SMILES CC(C)c1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219100
PNG
(CHEMBL95878)
Show SMILES Ic1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219127
PNG
(CHEMBL316643)
Show SMILES C[C@@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 |r|
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219099
PNG
(CHEMBL98353)
Show SMILES Cc1sc2c(Cl)cccc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50219095
PNG
(CHEMBL94988)
Show SMILES [H][C@@]12CCCN1CCN(C2)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50001825
PNG
(CHEMBL97158 | SB-331711)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-17-12-15(23)2-5-21(17)30-22(14)31(28,29)26-16-3-4-19-18(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2843-6 (2001)


BindingDB Entry DOI: 10.7270/Q2TB192H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50410436
PNG
(CHEMBL382078)
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-/m0/s1
PDB

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2n/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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