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Compile Data Set for Download or QSAR

Found 1798 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50240412
PNG
(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C37H46N6O2/c38-36(44)26-10-16-34-30(20-26)32(22-42-34)24-6-12-28(13-7-24)40-18-4-2-1-3-5-19-41-29-14-8-25(9-15-29)33-23-43-35-17-11-27(37(39)45)21-31(33)35/h6,8,10-11,16-17,20-23,28-29,40-43H,1-5,7,9,12-15,18-19H2,(H2,38,44)(H2,39,45)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50240412
PNG
(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C37H46N6O2/c38-36(44)26-10-16-34-30(20-26)32(22-42-34)24-6-12-28(13-7-24)40-18-4-2-1-3-5-19-41-29-14-8-25(9-15-29)33-23-43-35-17-11-27(37(39)45)21-31(33)35/h6,8,10-11,16-17,20-23,28-29,40-43H,1-5,7,9,12-15,18-19H2,(H2,38,44)(H2,39,45)
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n/an/a 0.0500n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50083658
PNG
(4-Benzyl-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl...)
Show SMILES OC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H29N5O/c31-25(16-20-5-2-1-3-6-20)10-13-29(14-11-25)12-4-7-21-17-26-24-9-8-22(15-23(21)24)30-18-27-28-19-30/h1-3,5-6,8-9,15,17-19,26,31H,4,7,10-14,16H2
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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))
BDBM50074186
PNG
(3-{3-[4-(4-Fluoro-benzyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C24H27FN6/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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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))
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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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))
BDBM50077807
PNG
(3-{3-[4-Fluoro-4-(2-fluoro-benzyl)-piperidin-1-yl]...)
Show SMILES Fc1ccccc1CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H27F2N5/c26-23-6-2-1-4-19(23)15-25(27)9-12-31(13-10-25)11-3-5-20-16-28-24-8-7-21(14-22(20)24)32-17-29-30-18-32/h1-2,4,6-8,14,16-18,28H,3,5,9-13,15H2
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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 1D


(Homo sapiens (human))
BDBM50285314
PNG
(3-(4-{8-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C38H48N6O2/c39-37(45)27-11-17-35-31(21-27)33(23-43-35)25-7-13-29(14-8-25)41-19-5-3-1-2-4-6-20-42-30-15-9-26(10-16-30)34-24-44-36-18-12-28(38(40)46)22-32(34)36/h7,9,11-12,17-18,21-24,29-30,41-44H,1-6,8,10,13-16,19-20H2,(H2,39,45)(H2,40,46)
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
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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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 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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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
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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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))
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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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))
BDBM50074188
PNG
(2-Phenyl-2-{4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES NC(=O)C(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H29N7O/c26-25(33)24(19-5-2-1-3-6-19)31-13-11-30(12-14-31)10-4-7-20-16-27-23-9-8-21(15-22(20)23)32-17-28-29-18-32/h1-3,5-6,8-9,15-18,24,27H,4,7,10-14H2,(H2,26,33)
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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))
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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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))
BDBM50060426
PNG
(CHEMBL296161 | Dimethyl-[2-(5-[1,2,4]triazol-4-yl-...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-15-14-4-3-12(7-13(11)14)19-9-16-17-10-19/h3-4,7-10,15H,5-6H2,1-2H3
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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))
BDBM50060426
PNG
(CHEMBL296161 | Dimethyl-[2-(5-[1,2,4]triazol-4-yl-...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-15-14-4-3-12(7-13(11)14)19-9-16-17-10-19/h3-4,7-10,15H,5-6H2,1-2H3
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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 1D


(Homo sapiens (human))
BDBM50065419
PNG
(3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H29N5/c1-2-5-20(6-3-1)15-21-10-13-29(14-11-21)12-4-7-22-17-26-25-9-8-23(16-24(22)25)30-18-27-28-19-30/h1-3,5-6,8-9,16-19,21,26H,4,7,10-15H2
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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
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50077814
PNG
(3-{3-[4-Fluoro-4-(2-trifluoromethyl-benzyl)-piperi...)
Show SMILES FC(F)(F)c1ccccc1CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H27F4N5/c27-25(15-19-4-1-2-6-23(19)26(28,29)30)9-12-34(13-10-25)11-3-5-20-16-31-24-8-7-21(14-22(20)24)35-17-32-33-18-35/h1-2,4,6-8,14,16-18,31H,3,5,9-13,15H2
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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 1D


(Homo sapiens (human))
BDBM50074206
PNG
(3-[3-(4-Pyridin-3-ylmethyl-piperazin-1-yl)-propyl]...)
Show SMILES C(CN1CCN(Cc2cccnc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C23H27N7/c1-3-19(14-24-7-1)16-29-11-9-28(10-12-29)8-2-4-20-15-25-23-6-5-21(13-22(20)23)30-17-26-27-18-30/h1,3,5-7,13-15,17-18,25H,2,4,8-12,16H2
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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))
BDBM50074159
PNG
((S)-4-[3-(2-{(S)-3-[((S)-1-Phenyl-ethylamino)-meth...)
Show SMILES C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1)c1ccccc1
Show InChI InChI=1S/C27H34N4O2/c1-19(22-5-3-2-4-6-22)28-15-21-9-11-31(17-21)12-10-23-16-29-26-8-7-20(14-25(23)26)13-24-18-33-27(32)30-24/h2-8,14,16,19,21,24,28-29H,9-13,15,17-18H2,1H3,(H,30,32)/t19-,21-,24-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Affinity of compound towards 5-hydroxytryptamine 1D receptor was evaluated using radioligand binding technique


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 1D


(Homo sapiens (human))
BDBM50074159
PNG
((S)-4-[3-(2-{(S)-3-[((S)-1-Phenyl-ethylamino)-meth...)
Show SMILES C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1)c1ccccc1
Show InChI InChI=1S/C27H34N4O2/c1-19(22-5-3-2-4-6-22)28-15-21-9-11-31(17-21)12-10-23-16-29-26-8-7-20(14-25(23)26)13-24-18-33-27(32)30-24/h2-8,14,16,19,21,24,28-29H,9-13,15,17-18H2,1H3,(H,30,32)/t19-,21-,24-/m0/s1
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n/an/a 0.300n/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 1D


(Homo sapiens (human))
BDBM50060426
PNG
(CHEMBL296161 | Dimethyl-[2-(5-[1,2,4]triazol-4-yl-...)
Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C14H17N5/c1-18(2)6-5-11-8-15-14-4-3-12(7-13(11)14)19-9-16-17-10-19/h3-4,7-10,15H,5-6H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding from human 5-hydroxytryptamine 1D receptor 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))
BDBM50065419
PNG
(3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H29N5/c1-2-5-20(6-3-1)15-21-10-13-29(14-11-21)12-4-7-22-17-26-25-9-8-23(16-24(22)25)30-18-27-28-19-30/h1-3,5-6,8-9,16-19,21,26H,4,7,10-15H2
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n/an/a 0.300n/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 1D


(Homo sapiens (human))
BDBM50403517
PNG
(CHEMBL89878)
Show SMILES CCc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1
Show InChI InChI=1S/C19H30N4O/c1-2-15-5-6-16-7-8-17(24-18(16)13-15)14-20-9-3-10-21-19-22-11-4-12-23-19/h5-6,13,17,20H,2-4,7-12,14H2,1H3,(H2,21,22,23)
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n/an/a 0.316n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50285320
PNG
(3-(4-{12-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexe...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C42H56N6O2/c43-41(49)31-15-21-39-35(25-31)37(27-47-39)29-11-17-33(18-12-29)45-23-9-7-5-3-1-2-4-6-8-10-24-46-34-19-13-30(14-20-34)38-28-48-40-22-16-32(42(44)50)26-36(38)40/h11,13,15-16,21-22,25-28,33-34,45-48H,1-10,12,14,17-20,23-24H2,(H2,43,49)(H2,44,50)
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n/an/a 0.330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
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 1D


(Homo sapiens (human))
BDBM50074171
PNG
((S)-4-(3-{2-[(S)-3-(Benzylamino-methyl)-pyrrolidin...)
Show SMILES O=C1N[C@@H](Cc2ccc3[nH]cc(CCN4CC[C@@H](CNCc5ccccc5)C4)c3c2)CO1
Show InChI InChI=1S/C26H32N4O2/c31-26-29-23(18-32-26)12-20-6-7-25-24(13-20)22(16-28-25)9-11-30-10-8-21(17-30)15-27-14-19-4-2-1-3-5-19/h1-7,13,16,21,23,27-28H,8-12,14-15,17-18H2,(H,29,31)/t21-,23-/m0/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
Affinity of compound towards 5-hydroxytryptamine 1D receptor was evaluated using radioligand binding technique


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 1D


(Homo sapiens (human))
BDBM50074171
PNG
((S)-4-(3-{2-[(S)-3-(Benzylamino-methyl)-pyrrolidin...)
Show SMILES O=C1N[C@@H](Cc2ccc3[nH]cc(CCN4CC[C@@H](CNCc5ccccc5)C4)c3c2)CO1
Show InChI InChI=1S/C26H32N4O2/c31-26-29-23(18-32-26)12-20-6-7-25-24(13-20)22(16-28-25)9-11-30-10-8-21(17-30)15-27-14-19-4-2-1-3-5-19/h1-7,13,16,21,23,27-28H,8-12,14-15,17-18H2,(H,29,31)/t21-,23-/m0/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
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 1D


(Homo sapiens (human))
BDBM50065419
PNG
(3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H29N5/c1-2-5-20(6-3-1)15-21-10-13-29(14-11-21)12-4-7-22-17-26-25-9-8-23(16-24(22)25)30-18-27-28-19-30/h1-3,5-6,8-9,16-19,21,26H,4,7,10-15H2
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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
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))
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 1D


(Homo sapiens (human))
BDBM50074198
PNG
(3-[3-(4-Pyridin-2-ylmethyl-piperazin-1-yl)-propyl]...)
Show SMILES C(CN1CCN(Cc2ccccn2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C23H27N7/c1-2-8-24-20(5-1)16-29-12-10-28(11-13-29)9-3-4-19-15-25-23-7-6-21(14-22(19)23)30-17-26-27-18-30/h1-2,5-8,14-15,17-18,25H,3-4,9-13,16H2
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n/an/a 0.400n/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))
BDBM50074201
PNG
(3-[3-(4-Furan-2-ylmethyl-piperazin-1-yl)-propyl]-5...)
Show SMILES C(CN1CCN(Cc2ccco2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C22H26N6O/c1(7-26-8-10-27(11-9-26)15-20-4-2-12-29-20)3-18-14-23-22-6-5-19(13-21(18)22)28-16-24-25-17-28/h2,4-6,12-14,16-17,23H,1,3,7-11,15H2
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n/an/a 0.400n/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))
BDBM50077830
PNG
(3-{3-[4-Fluoro-4-(3-fluoro-benzyl)-piperidin-1-yl]...)
Show SMILES Fc1cccc(CC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H27F2N5/c26-21-5-1-3-19(13-21)15-25(27)8-11-31(12-9-25)10-2-4-20-16-28-24-7-6-22(14-23(20)24)32-17-29-30-18-32/h1,3,5-7,13-14,16-18,28H,2,4,8-12,15H2
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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 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 1D


(Homo sapiens (human))
BDBM50083665
PNG
(4-(Benzylamino-methyl)-1-[3-(5-[1,2,4]triazol-4-yl...)
Show SMILES OC1(CNCc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6O/c33-26(18-27-16-21-5-2-1-3-6-21)10-13-31(14-11-26)12-4-7-22-17-28-25-9-8-23(15-24(22)25)32-19-29-30-20-32/h1-3,5-6,8-9,15,17,19-20,27-28,33H,4,7,10-14,16,18H2
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n/an/a 0.450n/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))
BDBM50074177
PNG
(CHEMBL349185 | Furan-3-ylmethyl-{(S)-1-[2-(5-[1,2,...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccoc2)C1
Show InChI InChI=1S/C22H26N6O/c1-2-22-21(9-20(1)28-15-25-26-16-28)19(12-24-22)4-7-27-6-3-17(13-27)10-23-11-18-5-8-29-14-18/h1-2,5,8-9,12,14-17,23-24H,3-4,6-7,10-11,13H2/t17-/m0/s1
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n/an/a 0.450n/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 1D


(Homo sapiens (human))
BDBM50074164
PNG
(((S)-1-Phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-4...)
Show SMILES C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)c1ccccc1
Show InChI InChI=1S/C25H30N6/c1-19(21-5-3-2-4-6-21)26-14-20-9-11-30(16-20)12-10-22-15-27-25-8-7-23(13-24(22)25)31-17-28-29-18-31/h2-8,13,15,17-20,26-27H,9-12,14,16H2,1H3/t19-,20-/m0/s1
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n/an/a 0.450n/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 1D


(Homo sapiens (human))
BDBM50060425
PNG
(Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m0/s1
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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
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))
BDBM50060425
PNG
(Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m0/s1
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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
Affinity of compound towards 5-hydroxytryptamine 1D receptor was evaluated using radioligand binding technique


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 1D


(Homo sapiens (human))
BDBM50060425
PNG
(Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m0/s1
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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 1D


(Homo sapiens (human))
BDBM50060437
PNG
(3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2
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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))
BDBM50083120
PNG
(CHEMBL148233 | Methyl-(3-methyl-but-2-enyl)-{1-[3-...)
Show SMILES CN(CC=C(C)C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C24H34N6/c1-19(2)8-12-28(3)21-9-13-29(14-10-21)11-4-5-20-16-25-24-7-6-22(15-23(20)24)30-17-26-27-18-30/h6-8,15-18,21,25H,4-5,9-14H2,1-3H3
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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))
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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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))
BDBM50060436
PNG
(3-(3-{4-[2-(2-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1ccccc1CCN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H29FN6/c26-24-6-2-1-4-20(24)9-11-31-14-12-30(13-15-31)10-3-5-21-17-27-25-8-7-22(16-23(21)25)32-18-28-29-19-32/h1-2,4,6-8,16-19,27H,3,5,9-15H2
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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))
BDBM50060437
PNG
(3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2
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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 1D


(Homo sapiens (human))
BDBM50060436
PNG
(3-(3-{4-[2-(2-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1ccccc1CCN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H29FN6/c26-24-6-2-1-4-20(24)9-11-31-14-12-30(13-15-31)10-3-5-21-17-27-25-8-7-22(16-23(21)25)32-18-28-29-19-32/h1-2,4,6-8,16-19,27H,3,5,9-15H2
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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 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))
BDBM50060437
PNG
(3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2
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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 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))
BDBM50060437
PNG
(3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2
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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
Compound was evaluated for the affinity at 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))
BDBM50060437
PNG
(3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2
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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))
BDBM50060437
PNG
(3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2
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n/an/a 0.600n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50083149
PNG
(((S)-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-/m0/s1
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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))
BDBM50077806
PNG
(3-{3-[4-Fluoro-4-(2-phenyl-propyl)-piperidin-1-yl]...)
Show SMILES CC(CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H32FN5/c1-21(22-6-3-2-4-7-22)17-27(28)11-14-32(15-12-27)13-5-8-23-18-29-26-10-9-24(16-25(23)26)33-19-30-31-20-33/h2-4,6-7,9-10,16,18-21,29H,5,8,11-15,17H2,1H3
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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
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