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26 similar compounds to monomer 50083111

Compile data set for download or QSAR
Wt: 428.5
BDBM50060430
Wt: 414.5
BDBM50060421
Wt: 442.5
BDBM50060422
Wt: 428.5
BDBM50060423
Wt: 428.5
BDBM50074150
Wt: 457.5
BDBM50074190
Wt: 457.5
BDBM50074205
Wt: 458.5
BDBM50083660
Wt: 501.6
BDBM50083661
Wt: 444.5
BDBM50083665
Wt: 485.6
BDBM50083086
Wt: 499.6
BDBM50083093
Wt: 485.6
BDBM50083095
Wt: 513.6
BDBM50083098
Wt: 458.5
BDBM50083102
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 50060430,50060421,50060422,50060423,50074150,50074190,50074205,50083660,50083661,50083665,50083086,50083093,50083095,50083098,50083102   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060423
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3
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n/an/an/an/a 1.60n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50083660
PNG
(4-[(Benzyl-methyl-amino)-methyl]-1-[3-(5-[1,2,4]tr...)
Show SMILES CN(Cc1ccccc1)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C27H34N6O/c1-31(18-22-6-3-2-4-7-22)19-27(34)11-14-32(15-12-27)13-5-8-23-17-28-26-10-9-24(16-25(23)26)33-20-29-30-21-33/h2-4,6-7,9-10,16-17,20-21,28,34H,5,8,11-15,18-19H2,1H3
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n/an/a 96n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-5-HT from recombinant human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells determined in vitro


Bioorg Med Chem Lett 9: 3369-74 (2000)


Article DOI: 10.1016/s0960-894x(99)00614-9
BindingDB Entry DOI: 10.7270/Q22F7MNB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060422
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C27H34N6/c1-31(18-22-6-3-2-4-7-22)19-23-11-14-32(15-12-23)13-5-8-24-17-28-27-10-9-25(16-26(24)27)33-20-29-30-21-33/h2-4,6-7,9-10,16-17,20-21,23,28H,5,8,11-15,18-19H2,1H3
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n/an/a 0.950n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060430
PNG
(((R)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060423
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3
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n/an/an/an/a 1.60n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Agonist induced [35S]-GTP-gammaS, binding in CHO cells expressing 5-HT 1d receptor


J Med Chem 41: 2667-70 (1998)


Article DOI: 10.1021/jm980204e
BindingDB Entry DOI: 10.7270/Q22Z14PW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060423
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3
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n/an/a 2.10n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 42: 2087-104 (1999)


Article DOI: 10.1021/jm981133m
BindingDB Entry DOI: 10.7270/Q2765DHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060423
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 42: 2087-104 (1999)


Article DOI: 10.1021/jm981133m
BindingDB Entry DOI: 10.7270/Q2765DHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060421
PNG
(Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...)
Show SMILES C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H30N6/c1-2-5-20(6-3-1)16-26-22-10-13-30(14-11-22)12-4-7-21-17-27-25-9-8-23(15-24(21)25)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,22,26-27H,4,7,10-14,16H2
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n/an/a 125n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by [3H]-5-HT binding displacement.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060422
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C27H34N6/c1-31(18-22-6-3-2-4-7-22)19-23-11-14-32(15-12-23)13-5-8-24-17-28-27-10-9-25(16-26(24)27)33-20-29-30-21-33/h2-4,6-7,9-10,16-17,20-21,23,28H,5,8,11-15,18-19H2,1H3
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n/an/a 28n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by [3H]-5-HT binding displacement.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060423
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060421
PNG
(Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...)
Show SMILES C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H30N6/c1-2-5-20(6-3-1)16-26-22-10-13-30(14-11-22)12-4-7-21-17-27-25-9-8-23(15-24(21)25)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,22,26-27H,4,7,10-14,16H2
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n/an/a 4.80n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060423
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3
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n/an/a 145n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by [3H]-5-HT binding displacement.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060430
PNG
(((R)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060430
PNG
(((R)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by [3H]-5-HT binding displacement.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060422
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C27H34N6/c1-31(18-22-6-3-2-4-7-22)19-23-11-14-32(15-12-23)13-5-8-24-17-28-27-10-9-25(16-26(24)27)33-20-29-30-21-33/h2-4,6-7,9-10,16-17,20-21,23,28H,5,8,11-15,18-19H2,1H3
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n/an/an/an/a 0.900n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060423
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 41: 2667-70 (1998)


Article DOI: 10.1021/jm980204e
BindingDB Entry DOI: 10.7270/Q22Z14PW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074190
PNG
(CHEMBL163127 | N-(4-{4-[3-(5-[1,2,4]Triazol-4-yl-1...)
Show SMILES CC(=O)Nc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C26H31N7O/c1-20(34)30-23-6-4-21(5-7-23)17-32-13-11-31(12-14-32)10-2-3-22-16-27-26-9-8-24(15-25(22)26)33-18-28-29-19-33/h4-9,15-16,18-19,27H,2-3,10-14,17H2,1H3,(H,30,34)
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n/an/a 2.5n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50074190
PNG
(CHEMBL163127 | N-(4-{4-[3-(5-[1,2,4]Triazol-4-yl-1...)
Show SMILES CC(=O)Nc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C26H31N7O/c1-20(34)30-23-6-4-21(5-7-23)17-32-13-11-31(12-14-32)10-2-3-22-16-27-26-9-8-24(15-25(22)26)33-18-28-29-19-33/h4-9,15-16,18-19,27H,2-3,10-14,17H2,1H3,(H,30,34)
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n/an/a 56n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding from cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells.


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074190
PNG
(CHEMBL163127 | N-(4-{4-[3-(5-[1,2,4]Triazol-4-yl-1...)
Show SMILES CC(=O)Nc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C26H31N7O/c1-20(34)30-23-6-4-21(5-7-23)17-32-13-11-31(12-14-32)10-2-3-22-16-27-26-9-8-24(15-25(22)26)33-18-28-29-19-33/h4-9,15-16,18-19,27H,2-3,10-14,17H2,1H3,(H,30,34)
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n/an/an/an/a 6.10n/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the human 5-hydroxytryptamine 1D receptor.


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074205
PNG
(CHEMBL161176 | N-(3-{4-[3-(5-[1,2,4]Triazol-4-yl-1...)
Show SMILES CC(=O)Nc1cccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H31N7O/c1-20(34)30-23-6-2-4-21(14-23)17-32-12-10-31(11-13-32)9-3-5-22-16-27-26-8-7-24(15-25(22)26)33-18-28-29-19-33/h2,4,6-8,14-16,18-19,27H,3,5,9-13,17H2,1H3,(H,30,34)
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n/an/a 0.200n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50074205
PNG
(CHEMBL161176 | N-(3-{4-[3-(5-[1,2,4]Triazol-4-yl-1...)
Show SMILES CC(=O)Nc1cccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H31N7O/c1-20(34)30-23-6-2-4-21(14-23)17-32-12-10-31(11-13-32)9-3-5-22-16-27-26-8-7-24(15-25(22)26)33-18-28-29-19-33/h2,4,6-8,14-16,18-19,27H,3,5,9-13,17H2,1H3,(H,30,34)
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n/an/a 2.40n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding from cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells.


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074205
PNG
(CHEMBL161176 | N-(3-{4-[3-(5-[1,2,4]Triazol-4-yl-1...)
Show SMILES CC(=O)Nc1cccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H31N7O/c1-20(34)30-23-6-2-4-21(14-23)17-32-12-10-31(11-13-32)9-3-5-22-16-27-26-8-7-24(15-25(22)26)33-18-28-29-19-33/h2,4,6-8,14-16,18-19,27H,3,5,9-13,17H2,1H3,(H,30,34)
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n/an/an/an/a 0.200n/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the human 5-hydroxytryptamine 1D receptor.


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074150
PNG
(Benzyl-methyl-{(S)-1-[3-(5-[1,2,4]triazol-4-yl-1H-...)
Show SMILES CN(C[C@@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1
Show InChI InChI=1S/C26H32N6/c1-30(16-21-6-3-2-4-7-21)17-22-11-13-31(18-22)12-5-8-23-15-27-26-10-9-24(14-25(23)26)32-19-28-29-20-32/h2-4,6-7,9-10,14-15,19-20,22,27H,5,8,11-13,16-18H2,1H3/t22-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding from the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50074150
PNG
(Benzyl-methyl-{(S)-1-[3-(5-[1,2,4]triazol-4-yl-1H-...)
Show SMILES CN(C[C@@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1
Show InChI InChI=1S/C26H32N6/c1-30(16-21-6-3-2-4-7-21)17-22-11-13-31(18-22)12-5-8-23-15-27-26-10-9-24(14-25(23)26)32-19-28-29-20-32/h2-4,6-7,9-10,14-15,19-20,22,27H,5,8,11-13,16-18H2,1H3/t22-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding from the cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060423
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Agonist-induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1B receptor


J Med Chem 42: 2087-104 (1999)


Article DOI: 10.1021/jm981133m
BindingDB Entry DOI: 10.7270/Q2765DHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060423
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3
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n/an/an/an/a 1.5n/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Agonist-induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1D receptor


J Med Chem 42: 2087-104 (1999)


Article DOI: 10.1021/jm981133m
BindingDB Entry DOI: 10.7270/Q2765DHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50083086
PNG
(CHEMBL149488 | N-{4-[(Methyl-{1-[3-(5-[1,2,4]triaz...)
Show SMILES CN(Cc1ccc(NC(C)=O)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C28H35N7O/c1-21(36)32-24-7-5-22(6-8-24)18-33(2)25-11-14-34(15-12-25)13-3-4-23-17-29-28-10-9-26(16-27(23)28)35-19-30-31-20-35/h5-10,16-17,19-20,25,29H,3-4,11-15,18H2,1-2H3,(H,32,36)
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n/an/a 100n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083093
PNG
(CHEMBL147546 | N-{4-[2-(Methyl-{1-[3-(5-[1,2,4]tri...)
Show SMILES CN(CCc1ccc(NC(C)=O)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C29H37N7O/c1-22(37)33-25-7-5-23(6-8-25)11-15-34(2)26-12-16-35(17-13-26)14-3-4-24-19-30-29-10-9-27(18-28(24)29)36-20-31-32-21-36/h5-10,18-21,26,30H,3-4,11-17H2,1-2H3,(H,33,37)
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n/an/a 5.70n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083095
PNG
(CHEMBL146150 | N-[4-((R)-1-{1-[3-(5-[1,2,4]Triazol...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C28H35N7O/c1-20(22-5-7-24(8-6-22)33-21(2)36)32-25-11-14-34(15-12-25)13-3-4-23-17-29-28-10-9-26(16-27(23)28)35-18-30-31-19-35/h5-10,16-20,25,29,32H,3-4,11-15H2,1-2H3,(H,33,36)/t20-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 1D receptor stably expressed in CHO cells by [3H]-5-HT displacement.


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083098
PNG
(4-Acetylamino-N-methyl-N-{1-[3-(5-[1,2,4]triazol-4...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C29H35N7O2/c1-21(37)33-25-7-5-23(6-8-25)29(38)34(2)18-22-11-14-35(15-12-22)13-3-4-24-17-30-28-10-9-26(16-27(24)28)36-19-31-32-20-36/h5-10,16-17,19-20,22,30H,3-4,11-15,18H2,1-2H3,(H,33,37)
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n/an/a 17n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060423
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50083102
PNG
((S)-2-Phenyl-2-({1-[3-(5-[1,2,4]triazol-4-yl-1H-in...)
Show SMILES OC[C@@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H34N6O/c34-18-27(22-5-2-1-3-6-22)28-16-21-10-13-32(14-11-21)12-4-7-23-17-29-26-9-8-24(15-25(23)26)33-19-30-31-20-33/h1-3,5-6,8-9,15,17,19-21,27-29,34H,4,7,10-14,16,18H2/t27-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083102
PNG
((S)-2-Phenyl-2-({1-[3-(5-[1,2,4]triazol-4-yl-1H-in...)
Show SMILES OC[C@@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H34N6O/c34-18-27(22-5-2-1-3-6-22)28-16-21-10-13-32(14-11-21)12-4-7-23-17-29-26-9-8-24(15-25(23)26)33-19-30-31-20-33/h1-3,5-6,8-9,15,17,19-21,27-29,34H,4,7,10-14,16,18H2/t27-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060421
PNG
(Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...)
Show SMILES C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H30N6/c1-2-5-20(6-3-1)16-26-22-10-13-30(14-11-22)12-4-7-21-17-27-25-9-8-23(15-24(21)25)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,22,26-27H,4,7,10-14,16H2
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n/an/a 4.60n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060421
PNG
(Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...)
Show SMILES C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H30N6/c1-2-5-20(6-3-1)16-26-22-10-13-30(14-11-22)12-4-7-21-17-27-25-9-8-23(15-24(21)25)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,22,26-27H,4,7,10-14,16H2
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n/an/a 120n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060430
PNG
(((R)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060423
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3
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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060421
PNG
(Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...)
Show SMILES C(CN1CCC(CC1)NCc1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H30N6/c1-2-5-20(6-3-1)16-26-22-10-13-30(14-11-22)12-4-7-21-17-27-25-9-8-23(15-24(21)25)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,22,26-27H,4,7,10-14,16H2
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n/an/an/an/a 7.60n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060423
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(Cc1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6/c1-30(18-21-6-3-2-4-7-21)23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-20,23,27H,5,8,11-15,18H2,1H3
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n/an/an/an/a 1.5n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060422
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C27H34N6/c1-31(18-22-6-3-2-4-7-22)19-23-11-14-32(15-12-23)13-5-8-24-17-28-27-10-9-25(16-26(24)27)33-20-29-30-21-33/h2-4,6-7,9-10,16-17,20-21,23,28H,5,8,11-15,18-19H2,1H3
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n/an/an/an/a 0.900n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060422
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C27H34N6/c1-31(18-22-6-3-2-4-7-22)19-23-11-14-32(15-12-23)13-5-8-24-17-28-27-10-9-25(16-26(24)27)33-20-29-30-21-33/h2-4,6-7,9-10,16-17,20-21,23,28H,5,8,11-15,18-19H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083086
PNG
(CHEMBL149488 | N-{4-[(Methyl-{1-[3-(5-[1,2,4]triaz...)
Show SMILES CN(Cc1ccc(NC(C)=O)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C28H35N7O/c1-21(36)32-24-7-5-22(6-8-24)18-33(2)25-11-14-34(15-12-25)13-3-4-23-17-29-28-10-9-26(16-27(23)28)35-19-30-31-20-35/h5-10,16-17,19-20,25,29H,3-4,11-15,18H2,1-2H3,(H,32,36)
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n/an/a 19n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50083095
PNG
(CHEMBL146150 | N-[4-((R)-1-{1-[3-(5-[1,2,4]Triazol...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C28H35N7O/c1-20(22-5-7-24(8-6-22)33-21(2)36)32-25-11-14-34(15-12-25)13-3-4-23-17-29-28-10-9-26(16-27(23)28)35-18-30-31-19-35/h5-10,16-20,25,29,32H,3-4,11-15H2,1-2H3,(H,33,36)/t20-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells by [3H]-5-HT displacement.


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50083093
PNG
(CHEMBL147546 | N-{4-[2-(Methyl-{1-[3-(5-[1,2,4]tri...)
Show SMILES CN(CCc1ccc(NC(C)=O)cc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C29H37N7O/c1-22(37)33-25-7-5-23(6-8-25)11-15-34(2)26-12-16-35(17-13-26)14-3-4-24-19-30-29-10-9-27(18-28(24)29)36-20-31-32-21-36/h5-10,18-21,26,30H,3-4,11-17H2,1-2H3,(H,33,37)
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n/an/a 66n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060430
PNG
(((R)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060430
PNG
(((R)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50083098
PNG
(4-Acetylamino-N-methyl-N-{1-[3-(5-[1,2,4]triazol-4...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C29H35N7O2/c1-21(37)33-25-7-5-23(6-8-25)29(38)34(2)18-22-11-14-35(15-12-22)13-3-4-24-17-30-28-10-9-26(16-27(24)28)36-19-31-32-20-36/h5-10,16-17,19-20,22,30H,3-4,11-15,18H2,1-2H3,(H,33,37)
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n/an/a 40n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060422
PNG
(Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C27H34N6/c1-31(18-22-6-3-2-4-7-22)19-23-11-14-32(15-12-23)13-5-8-24-17-28-27-10-9-25(16-26(24)27)33-20-29-30-21-33/h2-4,6-7,9-10,16-17,20-21,23,28H,5,8,11-15,18-19H2,1H3
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n/an/a 27n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083660
PNG
(4-[(Benzyl-methyl-amino)-methyl]-1-[3-(5-[1,2,4]tr...)
Show SMILES CN(Cc1ccccc1)CC1(O)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C27H34N6O/c1-31(18-22-6-3-2-4-7-22)19-27(34)11-14-32(15-12-27)13-5-8-23-17-28-26-10-9-24(16-25(23)26)33-20-29-30-21-33/h2-4,6-7,9-10,16-17,20-21,28,34H,5,8,11-15,18-19H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-5-HT from recombinant human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells determined in vitro


Bioorg Med Chem Lett 9: 3369-74 (2000)


Article DOI: 10.1016/s0960-894x(99)00614-9
BindingDB Entry DOI: 10.7270/Q22F7MNB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083661
PNG
(CHEMBL326723 | N-{4-[({4-Hydroxy-1-[3-(5-[1,2,4]tr...)
Show SMILES CC(=O)Nc1ccc(CNCC2(O)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C28H35N7O2/c1-21(36)33-24-6-4-22(5-7-24)16-29-18-28(37)10-13-34(14-11-28)12-2-3-23-17-30-27-9-8-25(15-26(23)27)35-19-31-32-20-35/h4-9,15,17,19-20,29-30,37H,2-3,10-14,16,18H2,1H3,(H,33,36)
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n/an/a 11n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-5-HT from recombinant human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells determined in vitro


Bioorg Med Chem Lett 9: 3369-74 (2000)


Article DOI: 10.1016/s0960-894x(99)00614-9
BindingDB Entry DOI: 10.7270/Q22F7MNB
More data for this
Ligand-Target Pair
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