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Compile Data Set for Download or QSAR

Found 212 hits Enz. Inhib. hit(s) with all data for entry = 50009398   
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))
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))
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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n/an/a 0.5n/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 1D


(Homo sapiens (Human))
BDBM50083113
PNG
(CHEMBL147660 | N-{4-[(Methyl-{1-[3-(5-[1,2,4]triaz...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C29H37N7O/c1-22(37)33-26-7-5-23(6-8-26)18-34(2)19-24-11-14-35(15-12-24)13-3-4-25-17-30-29-10-9-27(16-28(25)29)36-20-31-32-21-36/h5-10,16-17,20-21,24,30H,3-4,11-15,18-19H2,1-2H3,(H,33,37)
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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))
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))
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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n/an/a 0.600n/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))
BDBM50083137
PNG
((R)-2-{1-[3-(5-Imidazol-1-yl-1H-indol-3-yl)-propyl...)
Show SMILES OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2ccnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H33N5O/c33-19-27(21-5-2-1-3-6-21)30-23-10-14-31(15-11-23)13-4-7-22-18-29-26-9-8-24(17-25(22)26)32-16-12-28-20-32/h1-3,5-6,8-9,12,16-18,20,23,27,29-30,33H,4,7,10-11,13-15,19H2/t27-/m0/s1
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n/an/a 0.700n/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))
BDBM50083082
PNG
((1R,2R)-1-Phenyl-1-{1-[3-(5-[1,2,4]triazol-4-yl-1H...)
Show SMILES C[C@@H](O)[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H34N6O/c1-20(34)27(21-6-3-2-4-7-21)31-23-11-14-32(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)33-18-29-30-19-33/h2-4,6-7,9-10,16-20,23,27-28,31,34H,5,8,11-15H2,1H3/t20-,27+/m1/s1
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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))
BDBM50060429
PNG
((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...)
Show SMILES OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1
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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))
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))
BDBM50083141
PNG
(CHEMBL356808 | Indan-1-yl-{1-[3-(5-[1,2,4]triazol-...)
Show SMILES C(CN1CCC(CNC2CCc3ccccc23)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C28H34N6/c1-2-6-25-22(4-1)7-9-27(25)29-17-21-11-14-33(15-12-21)13-3-5-23-18-30-28-10-8-24(16-26(23)28)34-19-31-32-20-34/h1-2,4,6,8,10,16,18-21,27,29-30H,3,5,7,9,11-15,17H2
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n/an/a 1.10n/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))
BDBM50083129
PNG
(1-{1-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-prop...)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H27N7O/c33-25-29-23-5-1-2-6-24(23)32(25)19-9-12-30(13-10-19)11-3-4-18-15-26-22-8-7-20(14-21(18)22)31-16-27-28-17-31/h1-2,5-8,14-17,19,26H,3-4,9-13H2,(H,29,33)
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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
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))
BDBM50060428
PNG
((R)-2-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-ind...)
Show SMILES OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6O/c33-17-26(20-5-2-1-3-6-20)30-22-10-13-31(14-11-22)12-4-7-21-16-27-25-9-8-23(15-24(21)25)32-18-28-29-19-32/h1-3,5-6,8-9,15-16,18-19,22,26-27,30,33H,4,7,10-14,17H2/t26-/m0/s1
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n/an/a 1.30n/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))
BDBM50083112
PNG
(((R)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-...)
Show SMILES C[C@@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H34N6/c1-21(23-6-3-2-4-7-23)28-17-22-11-14-32(15-12-22)13-5-8-24-18-29-27-10-9-25(16-26(24)27)33-19-30-31-20-33/h2-4,6-7,9-10,16,18-22,28-29H,5,8,11-15,17H2,1H3/t21-/m1/s1
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n/an/a 1.40n/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))
BDBM50083104
PNG
(CHEMBL343217 | [(R)-1-(4-Fluoro-phenyl)-2-methoxy-...)
Show SMILES COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H33FN6O/c1-35-17-27(20-4-6-22(28)7-5-20)32-23-10-13-33(14-11-23)12-2-3-21-16-29-26-9-8-24(15-25(21)26)34-18-30-31-19-34/h4-9,15-16,18-19,23,27,29,32H,2-3,10-14,17H2,1H3/t27-/m0/s1
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n/an/a 1.40n/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))
BDBM50083110
PNG
(CHEMBL146024 | Methyl-thiophen-3-ylmethyl-{1-[3-(5...)
Show SMILES CN(Cc1ccsc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C24H30N6S/c1-28(15-19-8-12-31-16-19)21-6-10-29(11-7-21)9-2-3-20-14-25-24-5-4-22(13-23(20)24)30-17-26-27-18-30/h4-5,8,12-14,16-18,21,25H,2-3,6-7,9-11,15H2,1H3
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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))
BDBM50083091
PNG
(CHEMBL357634 | N-Methyl-N-{1-[3-(5-[1,2,4]triazol-...)
Show SMILES CN(C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H30N6O2S/c1-29(34(32,33)23-7-3-2-4-8-23)21-11-14-30(15-12-21)13-5-6-20-17-26-25-10-9-22(16-24(20)25)31-18-27-28-19-31/h2-4,7-10,16-19,21,26H,5-6,11-15H2,1H3
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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))
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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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))
BDBM50083090
PNG
((R)-N*2*,N*2*-Dimethyl-1-phenyl-N*1*-{1-[3-(5-[1,2...)
Show SMILES CN(C)C[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H37N7/c1-33(2)19-28(22-7-4-3-5-8-22)32-24-12-15-34(16-13-24)14-6-9-23-18-29-27-11-10-25(17-26(23)27)35-20-30-31-21-35/h3-5,7-8,10-11,17-18,20-21,24,28-29,32H,6,9,12-16,19H2,1-2H3/t28-/m0/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 1D


(Homo sapiens (Human))
BDBM50083147
PNG
(CHEMBL145982 | N-Methyl-N-{1-[3-(5-[1,2,4]triazol-...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H32N6O2S/c1-30(35(33,34)24-7-3-2-4-8-24)18-21-11-14-31(15-12-21)13-5-6-22-17-27-26-10-9-23(16-25(22)26)32-19-28-29-20-32/h2-4,7-10,16-17,19-21,27H,5-6,11-15,18H2,1H3
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n/an/a 1.60n/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 1D


(Homo sapiens (Human))
BDBM50083118
PNG
(Benzyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)...)
Show SMILES C(CN1CCC(CNCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C26H32N6/c1-2-5-21(6-3-1)16-27-17-22-10-13-31(14-11-22)12-4-7-23-18-28-26-9-8-24(15-25(23)26)32-19-29-30-20-32/h1-3,5-6,8-9,15,18-20,22,27-28H,4,7,10-14,16-17H2
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n/an/a 1.60n/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 1D


(Homo sapiens (Human))
BDBM50083105
PNG
(CHEMBL358072 | Pyridin-2-yl-{1-[3-(5-[1,2,4]triazo...)
Show SMILES C(CN1CCC(CNc2ccccn2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H29N7/c1-2-10-25-24(5-1)27-15-19-8-12-30(13-9-19)11-3-4-20-16-26-23-7-6-21(14-22(20)23)31-17-28-29-18-31/h1-2,5-7,10,14,16-19,26H,3-4,8-9,11-13,15H2,(H,25,27)
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n/an/a 1.70n/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))
BDBM50083144
PNG
(CHEMBL146285 | [1-(4-Fluoro-phenyl)-ethyl]-{1-[3-(...)
Show SMILES CC(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN6/c1-19(20-4-6-22(27)7-5-20)31-23-10-13-32(14-11-23)12-2-3-21-16-28-26-9-8-24(15-25(21)26)33-17-29-30-18-33/h4-9,15-19,23,28,31H,2-3,10-14H2,1H3
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n/an/a 1.90n/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))
BDBM50083153
PNG
(2-Phenyl-1'-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-y...)
Show SMILES C(CN1CCC(CC1)N1CCCCC1c1ccccc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C29H36N6/c1-2-7-23(8-3-1)29-10-4-5-16-35(29)25-13-17-33(18-14-25)15-6-9-24-20-30-28-12-11-26(19-27(24)28)34-21-31-32-22-34/h1-3,7-8,11-12,19-22,25,29-30H,4-6,9-10,13-18H2
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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 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))
BDBM50083116
PNG
((S)-3-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-ind...)
Show SMILES OC[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C27H34N6O/c34-18-24(15-21-5-2-1-3-6-21)31-23-10-13-32(14-11-23)12-4-7-22-17-28-27-9-8-25(16-26(22)27)33-19-29-30-20-33/h1-3,5-6,8-9,16-17,19-20,23-24,28,31,34H,4,7,10-15,18H2/t24-/m0/s1
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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
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))
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))
BDBM50083096
PNG
(CHEMBL357007 | Methyl-(4-methyl-pent-3-enyl)-{1-[3...)
Show SMILES CN(CCC=C(C)C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H36N6/c1-20(2)6-4-12-29(3)22-10-14-30(15-11-22)13-5-7-21-17-26-25-9-8-23(16-24(21)25)31-18-27-28-19-31/h6,8-9,16-19,22,26H,4-5,7,10-15H2,1-3H3
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n/an/a 2.60n/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 1D


(Homo sapiens (Human))
BDBM50083083
PNG
(((R)-2-Methoxy-1-phenyl-ethyl)-{1-[3-(5-[1,2,4]tri...)
Show SMILES COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H34N6O/c1-34-18-27(21-6-3-2-4-7-21)31-23-11-14-32(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)33-19-29-30-20-33/h2-4,6-7,9-10,16-17,19-20,23,27-28,31H,5,8,11-15,18H2,1H3/t27-/m0/s1
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n/an/a 3n/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))
BDBM50083133
PNG
(CHEMBL146335 | N-[4-({1-[3-(5-[1,2,4]Triazol-4-yl-...)
Show SMILES CC(=O)Nc1ccc(CNC2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C27H33N7O/c1-20(35)32-24-6-4-21(5-7-24)16-28-23-10-13-33(14-11-23)12-2-3-22-17-29-27-9-8-25(15-26(22)27)34-18-30-31-19-34/h4-9,15,17-19,23,28-29H,2-3,10-14,16H2,1H3,(H,32,35)
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n/an/a 3n/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))
BDBM50060419
PNG
(3-(2-Pyrrolidin-1-yl-ethyl)-5-[1,2,4]triazol-4-yl-...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCCC1
Show InChI InChI=1S/C16H19N5/c1-2-7-20(6-1)8-5-13-10-17-16-4-3-14(9-15(13)16)21-11-18-19-12-21/h3-4,9-12,17H,1-2,5-8H2
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n/an/a 3.10n/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 1B


(Homo sapiens (Human))
BDBM50083105
PNG
(CHEMBL358072 | Pyridin-2-yl-{1-[3-(5-[1,2,4]triazo...)
Show SMILES C(CN1CCC(CNc2ccccn2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H29N7/c1-2-10-25-24(5-1)27-15-19-8-12-30(13-9-19)11-3-4-20-16-26-23-7-6-21(14-22(20)23)31-17-28-29-18-31/h1-2,5-7,10,14,16-19,26H,3-4,8-9,11-13,15H2,(H,25,27)
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n/an/a 3.30n/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))
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))
BDBM50083128
PNG
((S)-2-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-ind...)
Show SMILES OC[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6O/c33-17-26(20-5-2-1-3-6-20)30-22-10-13-31(14-11-22)12-4-7-21-16-27-25-9-8-23(15-24(21)25)32-18-28-29-19-32/h1-3,5-6,8-9,15-16,18-19,22,26-27,30,33H,4,7,10-14,17H2/t26-/m1/s1
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n/an/a 3.5n/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))
BDBM50083121
PNG
((R)-2-Phenyl-2-{1-[3-(5-[1,2,4]triazol-1-yl-1H-ind...)
Show SMILES OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cncn2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6O/c33-17-26(20-5-2-1-3-6-20)30-22-10-13-31(14-11-22)12-4-7-21-16-28-25-9-8-23(15-24(21)25)32-19-27-18-29-32/h1-3,5-6,8-9,15-16,18-19,22,26,28,30,33H,4,7,10-14,17H2/t26-/m0/s1
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n/an/a 4.10n/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))
BDBM50083142
PNG
(CHEMBL147940 | N-{4-[({1-[3-(5-[1,2,4]Triazol-4-yl...)
Show SMILES CC(=O)Nc1ccc(CNCC2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C28H35N7O/c1-21(36)33-25-6-4-22(5-7-25)16-29-17-23-10-13-34(14-11-23)12-2-3-24-18-30-28-9-8-26(15-27(24)28)35-19-31-32-20-35/h4-9,15,18-20,23,29-30H,2-3,10-14,16-17H2,1H3,(H,33,36)
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n/an/a 4.20n/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))
BDBM50083115
PNG
(CHEMBL147907 | {1-[3-(5-Imidazol-1-yl-1H-indol-3-y...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2ccnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H33N5/c1-21(22-6-3-2-4-7-22)30-24-11-15-31(16-12-24)14-5-8-23-19-29-27-10-9-25(18-26(23)27)32-17-13-28-20-32/h2-4,6-7,9-10,13,17-21,24,29-30H,5,8,11-12,14-16H2,1H3/t21-/m1/s1
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n/an/a 4.20n/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))
BDBM50083139
PNG
((S)-2-(Methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN([C@H](CO)c1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C27H34N6O/c1-31(27(18-34)21-6-3-2-4-7-21)23-11-14-32(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)33-19-29-30-20-33/h2-4,6-7,9-10,16-17,19-20,23,27-28,34H,5,8,11-15,18H2,1H3/t27-/m1/s1
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n/an/a 4.30n/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))
BDBM50083089
PNG
(CHEMBL423212 | Methyl-thiophen-2-ylmethyl-{1-[3-(5...)
Show SMILES CN(Cc1cccs1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C24H30N6S/c1-28(16-22-5-3-13-31-22)20-8-11-29(12-9-20)10-2-4-19-15-25-24-7-6-21(14-23(19)24)30-17-26-27-18-30/h3,5-7,13-15,17-18,20,25H,2,4,8-12,16H2,1H3
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n/an/a 4.30n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 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))
BDBM50083135
PNG
(((S)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-...)
Show SMILES C[C@H](NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H34N6/c1-21(23-6-3-2-4-7-23)28-17-22-11-14-32(15-12-22)13-5-8-24-18-29-27-10-9-25(16-26(24)27)33-19-30-31-20-33/h2-4,6-7,9-10,16,18-22,28-29H,5,8,11-15,17H2,1H3/t21-/m0/s1
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n/an/a 4.40n/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))
BDBM50083136
PNG
(CHEMBL357408 | Furan-3-ylmethyl-{1-[3-(5-[1,2,4]tr...)
Show SMILES C(CN1CCC(CC1)NCc1ccoc1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C23H28N6O/c1(8-28-9-5-20(6-10-28)24-13-18-7-11-30-15-18)2-19-14-25-23-4-3-21(12-22(19)23)29-16-26-27-17-29/h3-4,7,11-12,14-17,20,24-25H,1-2,5-6,8-10,13H2
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n/an/a 4.5n/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 1D


(Homo sapiens (Human))
BDBM50083126
PNG
((R)-2-(Methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN([C@@H](CO)c1ccccc1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C27H34N6O/c1-31(27(18-34)21-6-3-2-4-7-21)23-11-14-32(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)33-19-29-30-20-33/h2-4,6-7,9-10,16-17,19-20,23,27-28,34H,5,8,11-15,18H2,1H3/t27-/m0/s1
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n/an/a 4.5n/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))
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 1D


(Homo sapiens (Human))
BDBM50083097
PNG
(CHEMBL342805 | Carbamic acid (R)-2-phenyl-2-{1-[3-...)
Show SMILES NC(=O)OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H33N7O2/c28-27(35)36-17-26(20-5-2-1-3-6-20)32-22-10-13-33(14-11-22)12-4-7-21-16-29-25-9-8-23(15-24(21)25)34-18-30-31-19-34/h1-3,5-6,8-9,15-16,18-19,22,26,29,32H,4,7,10-14,17H2,(H2,28,35)/t26-/m0/s1
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n/an/a 4.70n/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))
BDBM50083151
PNG
(CHEMBL344537 | [(R)-1-(4-Fluoro-phenyl)-2-methoxy-...)
Show SMILES COC[C@H](NC1CCN(CCCc2c[nH]c3ccc(Cn4cncn4)cc23)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN6O/c1-36-18-28(22-5-7-24(29)8-6-22)33-25-10-13-34(14-11-25)12-2-3-23-16-31-27-9-4-21(15-26(23)27)17-35-20-30-19-32-35/h4-9,15-16,19-20,25,28,31,33H,2-3,10-14,17-18H2,1H3/t28-/m0/s1
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n/an/a 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 1D


(Homo sapiens (Human))
BDBM50083106
PNG
(2-Phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES CC(CO)(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H34N6O/c1-27(18-34,22-7-3-2-4-8-22)31-23-11-14-32(15-12-23)13-5-6-21-17-28-26-10-9-24(16-25(21)26)33-19-29-30-20-33/h2-4,7-10,16-17,19-20,23,28,31,34H,5-6,11-15,18H2,1H3
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n/an/a 5.20n/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))
BDBM50083114
PNG
(((R)-1-Methyl-2-phenyl-ethyl)-{1-[3-(5-[1,2,4]tria...)
Show SMILES C[C@H](Cc1ccccc1)NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C27H34N6/c1-21(16-22-6-3-2-4-7-22)31-24-11-14-32(15-12-24)13-5-8-23-18-28-27-10-9-25(17-26(23)27)33-19-29-30-20-33/h2-4,6-7,9-10,17-21,24,28,31H,5,8,11-16H2,1H3/t21-/m1/s1
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n/an/a 5.5n/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))
BDBM50083094
PNG
(3-Phenyl-3-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES OCCC(NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H34N6O/c34-16-12-26(21-5-2-1-3-6-21)31-23-10-14-32(15-11-23)13-4-7-22-18-28-27-9-8-24(17-25(22)27)33-19-29-30-20-33/h1-3,5-6,8-9,17-20,23,26,28,31,34H,4,7,10-16H2
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n/an/a 5.5n/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))
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))
BDBM50083131
PNG
(1-Methyl-3-phenyl-1-{1-[3-(5-[1,2,4]triazol-4-yl-1...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H33N7O/c1-32(27(35)31-23-7-3-2-4-8-23)18-21-11-14-33(15-12-21)13-5-6-22-17-28-26-10-9-24(16-25(22)26)34-19-29-30-20-34/h2-4,7-10,16-17,19-21,28H,5-6,11-15,18H2,1H3,(H,31,35)
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n/an/a 5.90n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 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))
BDBM50083138
PNG
((R)-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-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 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))
BDBM50083150
PNG
((R)-2-(Methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indo...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)[C@@H](CO)c1ccccc1
Show InChI InChI=1S/C28H36N6O/c1-32(28(19-35)23-6-3-2-4-7-23)18-22-11-14-33(15-12-22)13-5-8-24-17-29-27-10-9-25(16-26(24)27)34-20-30-31-21-34/h2-4,6-7,9-10,16-17,20-22,28-29,35H,5,8,11-15,18-19H2,1H3/t28-/m0/s1
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n/an/a 6n/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
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