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18 similar compounds to monomer 50074205

Compile data set for download or QSAR
Wt: 471.5
BDBM50060438
Wt: 400.5
BDBM50060440
Wt: 471.5
BDBM50060442
Wt: 425.5
BDBM50074181
Wt: 443.5
BDBM50074184
Wt: 414.5
BDBM50074185
Wt: 434.9
BDBM50074187
Wt: 401.5
BDBM50074189
Wt: 457.5
BDBM50074190
Wt: 414.5
BDBM50074199
Wt: 501.6
BDBM50083661
Wt: 485.6
BDBM50083086
Wt: 485.6
BDBM50083095
Wt: 499.6
BDBM50083108
Wt: 499.6
BDBM50083111
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 51 hits for monomerid = 50060438,50060440,50060442,50074181,50074184,50074185,50074187,50074189,50074190,50074199,50083661,50083086,50083095,50083108,50083111   
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))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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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 from human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 40: 3501-3 (1997)


Article DOI: 10.1021/jm9704560
BindingDB Entry DOI: 10.7270/Q2DZ07D8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


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


J Med Chem 58: 8315-59 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00258
BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060442
PNG
(CHEMBL333089 | N-[3-(2-{4-[3-(5-[1,2,4]Triazol-4-y...)
Show SMILES CC(=O)Nc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-2-4-22(16-24)9-11-33-14-12-32(13-15-33)10-3-5-23-18-28-27-8-7-25(17-26(23)27)34-19-29-30-20-34/h2,4,6-8,16-20,28H,3,5,9-15H2,1H3,(H,31,35)
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n/an/a 1.80n/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 40: 3501-3 (1997)


Article DOI: 10.1021/jm9704560
BindingDB Entry DOI: 10.7270/Q2DZ07D8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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n/an/an/an/a 0.100n/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))
BDBM50060438
PNG
(CHEMBL119785 | N-[4-(2-{4-[3-(5-[1,2,4]Triazol-4-y...)
Show SMILES CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-4-22(5-7-24)10-12-33-15-13-32(14-16-33)11-2-3-23-18-28-27-9-8-25(17-26(23)27)34-19-29-30-20-34/h4-9,17-20,28H,2-3,10-16H2,1H3,(H,31,35)
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n/an/an/an/a 1.90n/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 5-hydroxytryptamine 1D receptor


J Med Chem 40: 3501-3 (1997)


Article DOI: 10.1021/jm9704560
BindingDB Entry DOI: 10.7270/Q2DZ07D8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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n/an/a 8.10n/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 1B receptor expressed in CHO cells


J Med Chem 40: 3501-3 (1997)


Article DOI: 10.1021/jm9704560
BindingDB Entry DOI: 10.7270/Q2DZ07D8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060442
PNG
(CHEMBL333089 | N-[3-(2-{4-[3-(5-[1,2,4]Triazol-4-y...)
Show SMILES CC(=O)Nc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-2-4-22(16-24)9-11-33-14-12-32(13-15-33)10-3-5-23-18-28-27-8-7-25(17-26(23)27)34-19-29-30-20-34/h2,4,6-8,16-20,28H,3,5,9-15H2,1H3,(H,31,35)
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n/an/a 170n/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 1B receptor expressed in CHO cells


J Med Chem 40: 3501-3 (1997)


Article DOI: 10.1021/jm9704560
BindingDB Entry DOI: 10.7270/Q2DZ07D8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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n/an/an/an/a 0.100n/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 5-hydroxytryptamine 1D receptor


J Med Chem 40: 3501-3 (1997)


Article DOI: 10.1021/jm9704560
BindingDB Entry DOI: 10.7270/Q2DZ07D8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060442
PNG
(CHEMBL333089 | N-[3-(2-{4-[3-(5-[1,2,4]Triazol-4-y...)
Show SMILES CC(=O)Nc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-2-4-22(16-24)9-11-33-14-12-32(13-15-33)10-3-5-23-18-28-27-8-7-25(17-26(23)27)34-19-29-30-20-34/h2,4,6-8,16-20,28H,3,5,9-15H2,1H3,(H,31,35)
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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
Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing 5-hydroxytryptamine 1D receptor


J Med Chem 40: 3501-3 (1997)


Article DOI: 10.1021/jm9704560
BindingDB Entry DOI: 10.7270/Q2DZ07D8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060438
PNG
(CHEMBL119785 | N-[4-(2-{4-[3-(5-[1,2,4]Triazol-4-y...)
Show SMILES CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-4-22(5-7-24)10-12-33-15-13-32(14-16-33)11-2-3-23-18-28-27-9-8-25(17-26(23)27)34-19-29-30-20-34/h4-9,17-20,28H,2-3,10-16H2,1H3,(H,31,35)
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n/an/a 251n/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 1B receptor expressed in CHO cells


J Med Chem 40: 3501-3 (1997)


Article DOI: 10.1021/jm9704560
BindingDB Entry DOI: 10.7270/Q2DZ07D8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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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 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))
BDBM50074181
PNG
(4-{4-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-prop...)
Show SMILES N#Cc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C25H27N7/c26-15-20-3-5-21(6-4-20)17-31-12-10-30(11-13-31)9-1-2-22-16-27-25-8-7-23(14-24(22)25)32-18-28-29-19-32/h3-8,14,16,18-19,27H,1-2,9-13,17H2
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n/an/a 0.700n/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 1D


(Homo sapiens (Human))
BDBM50074184
PNG
(CHEMBL348962 | Methyl-(2-phenyl-2-{4-[3-(5-[1,2,4]...)
Show SMILES CNCC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H33N7/c1-27-18-26(21-6-3-2-4-7-21)32-14-12-31(13-15-32)11-5-8-22-17-28-25-10-9-23(16-24(22)25)33-19-29-30-20-33/h2-4,6-7,9-10,16-17,19-20,26-28H,5,8,11-15,18H2,1H3
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n/an/a 0.900n/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 1D


(Homo sapiens (Human))
BDBM50074185
PNG
(4-Benzyl-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl...)
Show SMILES O=C1CN(Cc2ccccc2)CCN1CCCc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H26N6O/c31-24-16-28(15-19-5-2-1-3-6-19)11-12-29(24)10-4-7-20-14-25-23-9-8-21(13-22(20)23)30-17-26-27-18-30/h1-3,5-6,8-9,13-14,17-18,25H,4,7,10-12,15-16H2
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n/an/a 173n/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 1D


(Homo sapiens (Human))
BDBM50074187
PNG
(3-{3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Clc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C24H27ClN6/c25-21-5-3-19(4-6-21)16-30-12-10-29(11-13-30)9-1-2-20-15-26-24-8-7-22(14-23(20)24)31-17-27-28-18-31/h3-8,14-15,17-18,26H,1-2,9-13,16H2
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n/an/a 0.5n/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))
BDBM50074181
PNG
(4-{4-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-prop...)
Show SMILES N#Cc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C25H27N7/c26-15-20-3-5-21(6-4-20)17-31-12-10-30(11-13-31)9-1-2-22-16-27-25-8-7-23(14-24(22)25)32-18-28-29-19-32/h3-8,14,16,18-19,27H,1-2,9-13,17H2
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n/an/a 130n/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 1B


(Homo sapiens (Human))
BDBM50074189
PNG
(3-[3-(4-Pyridin-4-ylmethyl-piperazin-1-yl)-propyl]...)
Show SMILES C(CN1CCN(Cc2ccncc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C23H27N7/c1(9-28-10-12-29(13-11-28)16-19-5-7-24-8-6-19)2-20-15-25-23-4-3-21(14-22(20)23)30-17-26-27-18-30/h3-8,14-15,17-18,25H,1-2,9-13,16H2
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n/an/a 23n/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))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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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))
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 1D


(Homo sapiens (Human))
BDBM50060438
PNG
(CHEMBL119785 | N-[4-(2-{4-[3-(5-[1,2,4]Triazol-4-y...)
Show SMILES CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-4-22(5-7-24)10-12-33-15-13-32(14-16-33)11-2-3-23-18-28-27-9-8-25(17-26(23)27)34-19-29-30-20-34/h4-9,17-20,28H,2-3,10-16H2,1H3,(H,31,35)
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n/an/an/an/a 1.80n/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 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 1B


(Homo sapiens (Human))
BDBM50074187
PNG
(3-{3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Clc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C24H27ClN6/c25-21-5-3-19(4-6-21)16-30-12-10-29(11-13-30)9-1-2-20-15-26-24-8-7-22(14-23(20)24)31-17-27-28-18-31/h3-8,14-15,17-18,26H,1-2,9-13,16H2
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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 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))
BDBM50074199
PNG
(3-{3-[4-(1-Phenyl-ethyl)-piperazin-1-yl]-propyl}-5...)
Show SMILES CC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H30N6/c1-20(21-6-3-2-4-7-21)30-14-12-29(13-15-30)11-5-8-22-17-26-25-10-9-23(16-24(22)25)31-18-27-28-19-31/h2-4,6-7,9-10,16-20,26H,5,8,11-15H2,1H3
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n/an/a 1n/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))
BDBM50074199
PNG
(3-{3-[4-(1-Phenyl-ethyl)-piperazin-1-yl]-propyl}-5...)
Show SMILES CC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H30N6/c1-20(21-6-3-2-4-7-21)30-14-12-29(13-15-30)11-5-8-22-17-26-25-10-9-23(16-24(22)25)31-18-27-28-19-31/h2-4,6-7,9-10,16-20,26H,5,8,11-15H2,1H3
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n/an/a 13n/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))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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n/an/a 0.100n/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 1D


(Homo sapiens (Human))
BDBM50074187
PNG
(3-{3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Clc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C24H27ClN6/c25-21-5-3-19(4-6-21)16-30-12-10-29(11-13-30)9-1-2-20-15-26-24-8-7-22(14-23(20)24)31-17-27-28-18-31/h3-8,14-15,17-18,26H,1-2,9-13,16H2
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n/an/an/an/a 1.20n/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 1B


(Homo sapiens (Human))
BDBM50074185
PNG
(4-Benzyl-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl...)
Show SMILES O=C1CN(Cc2ccccc2)CCN1CCCc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H26N6O/c31-24-16-28(15-19-5-2-1-3-6-19)11-12-29(24)10-4-7-20-14-25-23-9-8-21(13-22(20)23)30-17-26-27-18-30/h1-3,5-6,8-9,13-14,17-18,25H,4,7,10-12,15-16H2
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n/an/a 3.90E+3n/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))
BDBM50060438
PNG
(CHEMBL119785 | N-[4-(2-{4-[3-(5-[1,2,4]Triazol-4-y...)
Show SMILES CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-4-22(5-7-24)10-12-33-15-13-32(14-16-33)11-2-3-23-18-28-27-9-8-25(17-26(23)27)34-19-29-30-20-34/h4-9,17-20,28H,2-3,10-16H2,1H3,(H,31,35)
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n/an/a 1.30n/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 1D


(Homo sapiens (Human))
BDBM50074189
PNG
(3-[3-(4-Pyridin-4-ylmethyl-piperazin-1-yl)-propyl]...)
Show SMILES C(CN1CCN(Cc2ccncc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C23H27N7/c1(9-28-10-12-29(13-11-28)16-19-5-7-24-8-6-19)2-20-15-25-23-4-3-21(14-22(20)23)30-17-26-27-18-30/h3-8,14-15,17-18,25H,1-2,9-13,16H2
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n/an/a 0.600n/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 1D


(Homo sapiens (Human))
BDBM50074184
PNG
(CHEMBL348962 | Methyl-(2-phenyl-2-{4-[3-(5-[1,2,4]...)
Show SMILES CNCC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H33N7/c1-27-18-26(21-6-3-2-4-7-21)32-14-12-31(13-15-32)11-5-8-22-17-28-25-10-9-23(16-24(22)25)33-19-29-30-20-33/h2-4,6-7,9-10,16-17,19-20,26-28H,5,8,11-15,18H2,1H3
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n/an/an/an/a 1.70n/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))
BDBM50074189
PNG
(3-[3-(4-Pyridin-4-ylmethyl-piperazin-1-yl)-propyl]...)
Show SMILES C(CN1CCN(Cc2ccncc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C23H27N7/c1(9-28-10-12-29(13-11-28)16-19-5-7-24-8-6-19)2-20-15-25-23-4-3-21(14-22(20)23)30-17-26-27-18-30/h3-8,14-15,17-18,25H,1-2,9-13,16H2
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n/an/an/an/a 1n/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 1B


(Homo sapiens (Human))
BDBM50060438
PNG
(CHEMBL119785 | N-[4-(2-{4-[3-(5-[1,2,4]Triazol-4-y...)
Show SMILES CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C27H33N7O/c1-21(35)31-24-6-4-22(5-7-24)10-12-33-15-13-32(14-16-33)11-2-3-23-18-28-27-9-8-25(17-26(23)27)34-19-29-30-20-34/h4-9,17-20,28H,2-3,10-16H2,1H3,(H,31,35)
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n/an/a 260n/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))
BDBM50074181
PNG
(4-{4-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-prop...)
Show SMILES N#Cc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C25H27N7/c26-15-20-3-5-21(6-4-20)17-31-12-10-30(11-13-31)9-1-2-22-16-27-25-8-7-23(14-24(22)25)32-18-28-29-19-32/h3-8,14,16,18-19,27H,1-2,9-13,17H2
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n/an/an/an/a 1.10n/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 1B


(Homo sapiens (Human))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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n/an/a 11n/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 1B


(Homo sapiens (Human))
BDBM50074184
PNG
(CHEMBL348962 | Methyl-(2-phenyl-2-{4-[3-(5-[1,2,4]...)
Show SMILES CNCC(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H33N7/c1-27-18-26(21-6-3-2-4-7-21)32-14-12-31(13-15-32)11-5-8-22-17-28-25-10-9-23(16-24(22)25)33-19-29-30-20-33/h2-4,6-7,9-10,16-17,19-20,26-28H,5,8,11-15,18H2,1H3
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n/an/a 17n/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))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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n/an/a 0.140n/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 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))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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n/an/a 11n/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))
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))
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))
BDBM50083108
PNG
(CHEMBL146483 | N-{4-[(S)-1-({1-[3-(5-[1,2,4]Triazo...)
Show SMILES C[C@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C29H37N7O/c1-21(24-5-7-26(8-6-24)34-22(2)37)30-17-23-11-14-35(15-12-23)13-3-4-25-18-31-29-10-9-27(16-28(25)29)36-19-32-33-20-36/h5-10,16,18-21,23,30-31H,3-4,11-15,17H2,1-2H3,(H,34,37)/t21-/m0/s1
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n/an/a 0.600n/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))
BDBM50083111
PNG
(CHEMBL146338 | N-{4-[(R)-1-({1-[3-(5-[1,2,4]Triazo...)
Show SMILES C[C@@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C29H37N7O/c1-21(24-5-7-26(8-6-24)34-22(2)37)30-17-23-11-14-35(15-12-23)13-3-4-25-18-31-29-10-9-27(16-28(25)29)36-19-32-33-20-36/h5-10,16,18-21,23,30-31H,3-4,11-15,17H2,1-2H3,(H,34,37)/t21-/m1/s1
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n/an/a 1.5n/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))
BDBM50083111
PNG
(CHEMBL146338 | N-{4-[(R)-1-({1-[3-(5-[1,2,4]Triazo...)
Show SMILES C[C@@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C29H37N7O/c1-21(24-5-7-26(8-6-24)34-22(2)37)30-17-23-11-14-35(15-12-23)13-3-4-25-18-31-29-10-9-27(16-28(25)29)36-19-32-33-20-36/h5-10,16,18-21,23,30-31H,3-4,11-15,17H2,1-2H3,(H,34,37)/t21-/m1/s1
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n/an/a 8.90n/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))
BDBM50083108
PNG
(CHEMBL146483 | N-{4-[(S)-1-({1-[3-(5-[1,2,4]Triazo...)
Show SMILES C[C@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C29H37N7O/c1-21(24-5-7-26(8-6-24)34-22(2)37)30-17-23-11-14-35(15-12-23)13-3-4-25-18-31-29-10-9-27(16-28(25)29)36-19-32-33-20-36/h5-10,16,18-21,23,30-31H,3-4,11-15,17H2,1-2H3,(H,34,37)/t21-/m0/s1
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n/an/an/an/a 3n/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 1B


(Homo sapiens (Human))
BDBM50083108
PNG
(CHEMBL146483 | N-{4-[(S)-1-({1-[3-(5-[1,2,4]Triazo...)
Show SMILES C[C@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C29H37N7O/c1-21(24-5-7-26(8-6-24)34-22(2)37)30-17-23-11-14-35(15-12-23)13-3-4-25-18-31-29-10-9-27(16-28(25)29)36-19-32-33-20-36/h5-10,16,18-21,23,30-31H,3-4,11-15,17H2,1-2H3,(H,34,37)/t21-/m0/s1
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n/an/a 9.30n/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))
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 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
5-hydroxytryptamine receptor 1B


(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 30n/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))
BDBM50060440
PNG
(3-[3-(4-Benzyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H28N6/c1-2-5-20(6-3-1)17-29-13-11-28(12-14-29)10-4-7-21-16-25-24-9-8-22(15-23(21)24)30-18-26-27-19-30/h1-3,5-6,8-9,15-16,18-19,25H,4,7,10-14,17H2
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n/an/a 0.140n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


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


J Med Chem 58: 8315-59 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00258
BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair
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