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21 similar compounds to monomer 50060437

Compile data set for download or QSAR
Wt: 450.5
BDBM50455553
Wt: 450.5
BDBM50060434
Wt: 324.4
BDBM50060435
Wt: 432.5
BDBM50060436
Wt: 471.5
BDBM50060438
Wt: 450.5
BDBM50060439
Wt: 471.5
BDBM50060442
Wt: 432.5
BDBM50060443
Wt: 414.5
BDBM50060444
Wt: 450.5
BDBM50065420
Wt: 443.5
BDBM50074184
Wt: 418.5
BDBM50074186
Wt: 310.3
BDBM50074191
Wt: 415.5
BDBM50074193
Wt: 428.5
BDBM50074202
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 64 hits for monomerid = 50455553,50060434,50060435,50060436,50060438,50060439,50060442,50060443,50060444,50065420,50074184,50074186,50074191,50074193,50074202   
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))
BDBM50060434
PNG
(3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-...)
Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F
Show InChI InChI=1S/C25H28F2N6/c26-23-5-3-19(14-24(23)27)7-9-32-12-10-31(11-13-32)8-1-2-20-16-28-25-6-4-21(15-22(20)25)33-17-29-30-18-33/h3-6,14-18,28H,1-2,7-13H2
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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))
BDBM50065420
PNG
(3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Show SMILES FC(CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28F2N6/c26-21-3-1-2-19(12-21)6-7-31-8-10-32(11-9-31)16-22(27)13-20-15-28-25-5-4-23(14-24(20)25)33-17-29-30-18-33/h1-5,12,14-15,17-18,22,28H,6-11,13,16H2
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n/an/an/an/a 810n/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
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/an/an/a 1.5n/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))
BDBM50060443
PNG
(3-(3-{4-[2-(4-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C25H29FN6/c26-22-5-3-20(4-6-22)9-11-31-14-12-30(13-15-31)10-1-2-21-17-27-25-8-7-23(16-24(21)25)32-18-28-29-19-32/h3-8,16-19,27H,1-2,9-15H2
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n/an/a 0.800n/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))
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 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))
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))
BDBM50060444
PNG
(3-[3-(4-Phenethyl-piperazin-1-yl)-propyl]-5-[1,2,4...)
Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H30N6/c1-2-5-21(6-3-1)10-12-30-15-13-29(14-16-30)11-4-7-22-18-26-25-9-8-23(17-24(22)25)31-19-27-28-20-31/h1-3,5-6,8-9,17-20,26H,4,7,10-16H2
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n/an/a 1.40n/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))
BDBM50060439
PNG
(3-(3-{4-[2-(3,5-Difluoro-phenyl)-ethyl]-piperazin-...)
Show SMILES Fc1cc(F)cc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H28F2N6/c26-21-12-19(13-22(27)14-21)5-7-32-10-8-31(9-11-32)6-1-2-20-16-28-25-4-3-23(15-24(20)25)33-17-29-30-18-33/h3-4,12-18,28H,1-2,5-11H2
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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 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))
BDBM50065420
PNG
(3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Show SMILES FC(CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28F2N6/c26-21-3-1-2-19(12-21)6-7-31-8-10-32(11-9-31)16-22(27)13-20-15-28-25-5-4-23(14-24(20)25)33-17-29-30-18-33/h1-5,12,14-15,17-18,22,28H,6-11,13,16H2
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n/an/an/an/a 4.40n/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 1B


(Homo sapiens (Human))
BDBM50455553
PNG
(CHEMBL2114036)
Show SMILES F[C@H](CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28F2N6/c26-21-3-1-2-19(12-21)6-7-31-8-10-32(11-9-31)16-22(27)13-20-15-28-25-5-4-23(14-24(20)25)33-17-29-30-18-33/h1-5,12,14-15,17-18,22,28H,6-11,13,16H2/t22-/m0/s1
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n/an/a 680n/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 1D


(Homo sapiens (Human))
BDBM50455553
PNG
(CHEMBL2114036)
Show SMILES F[C@H](CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28F2N6/c26-21-3-1-2-19(12-21)6-7-31-8-10-32(11-9-31)16-22(27)13-20-15-28-25-5-4-23(14-24(20)25)33-17-29-30-18-33/h1-5,12,14-15,17-18,22,28H,6-11,13,16H2/t22-/m0/s1
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n/an/a 5.80n/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))
BDBM50065420
PNG
(3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Show SMILES FC(CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28F2N6/c26-21-3-1-2-19(12-21)6-7-31-8-10-32(11-9-31)16-22(27)13-20-15-28-25-5-4-23(14-24(20)25)33-17-29-30-18-33/h1-5,12,14-15,17-18,22,28H,6-11,13,16H2
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n/an/a 1.20E+3n/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 1D


(Homo sapiens (Human))
BDBM50065420
PNG
(3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Show SMILES FC(CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28F2N6/c26-21-3-1-2-19(12-21)6-7-31-8-10-32(11-9-31)16-22(27)13-20-15-28-25-5-4-23(14-24(20)25)33-17-29-30-18-33/h1-5,12,14-15,17-18,22,28H,6-11,13,16H2
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n/an/a 5.10n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
BDBM50060434
PNG
(3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-...)
Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F
Show InChI InChI=1S/C25H28F2N6/c26-23-5-3-19(14-24(23)27)7-9-32-12-10-31(11-13-32)8-1-2-20-16-28-25-6-4-21(15-22(20)25)33-17-29-30-18-33/h3-6,14-18,28H,1-2,7-13H2
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n/an/a 98n/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))
BDBM50060435
PNG
(3-[3-(4-Methyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES CN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C18H24N6/c1-22-7-9-23(10-8-22)6-2-3-15-12-19-18-5-4-16(11-17(15)18)24-13-20-21-14-24/h4-5,11-14,19H,2-3,6-10H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
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))
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))
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 1D


(Homo sapiens (Human))
BDBM50060439
PNG
(3-(3-{4-[2-(3,5-Difluoro-phenyl)-ethyl]-piperazin-...)
Show SMILES Fc1cc(F)cc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H28F2N6/c26-21-12-19(13-22(27)14-21)5-7-32-10-8-31(9-11-32)6-1-2-20-16-28-25-4-3-23(15-24(20)25)33-17-29-30-18-33/h3-4,12-18,28H,1-2,5-11H2
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n/an/an/an/a 0.600n/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))
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))
BDBM50060443
PNG
(3-(3-{4-[2-(4-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C25H29FN6/c26-22-5-3-20(4-6-22)9-11-31-14-12-30(13-15-31)10-1-2-21-17-27-25-8-7-23(16-24(21)25)32-18-28-29-19-32/h3-8,16-19,27H,1-2,9-15H2
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n/an/an/an/a 1.5n/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
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))
BDBM50060444
PNG
(3-[3-(4-Phenethyl-piperazin-1-yl)-propyl]-5-[1,2,4...)
Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H30N6/c1-2-5-21(6-3-1)10-12-30-15-13-29(14-16-30)11-4-7-22-18-26-25-9-8-23(17-24(22)25)31-19-27-28-20-31/h1-3,5-6,8-9,17-20,26H,4,7,10-16H2
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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 1B


(Homo sapiens (Human))
BDBM50060443
PNG
(3-(3-{4-[2-(4-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C25H29FN6/c26-22-5-3-20(4-6-22)9-11-31-14-12-30(13-15-31)10-1-2-21-17-27-25-8-7-23(16-24(21)25)32-18-28-29-19-32/h3-8,16-19,27H,1-2,9-15H2
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n/an/a 120n/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))
BDBM50060435
PNG
(3-[3-(4-Methyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES CN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C18H24N6/c1-22-7-9-23(10-8-22)6-2-3-15-12-19-18-5-4-16(11-17(15)18)24-13-20-21-14-24/h4-5,11-14,19H,2-3,6-10H2,1H3
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n/an/a 430n/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))
BDBM50060439
PNG
(3-(3-{4-[2-(3,5-Difluoro-phenyl)-ethyl]-piperazin-...)
Show SMILES Fc1cc(F)cc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H28F2N6/c26-21-12-19(13-22(27)14-21)5-7-32-10-8-31(9-11-32)6-1-2-20-16-28-25-4-3-23(15-24(20)25)33-17-29-30-18-33/h3-4,12-18,28H,1-2,5-11H2
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n/an/a 47n/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))
BDBM50060434
PNG
(3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-...)
Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F
Show InChI InChI=1S/C25H28F2N6/c26-23-5-3-19(14-24(23)27)7-9-32-12-10-31(11-13-32)8-1-2-20-16-28-25-6-4-21(15-22(20)25)33-17-29-30-18-33/h3-6,14-18,28H,1-2,7-13H2
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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 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))
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 1D


(Homo sapiens (Human))
BDBM50060444
PNG
(3-[3-(4-Phenethyl-piperazin-1-yl)-propyl]-5-[1,2,4...)
Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H30N6/c1-2-5-21(6-3-1)10-12-30-15-13-29(14-16-30)11-4-7-22-18-26-25-9-8-23(17-24(22)25)31-19-27-28-20-31/h1-3,5-6,8-9,17-20,26H,4,7,10-16H2
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n/an/an/an/a 0.900n/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
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))
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 100n/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))
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))
BDBM50065420
PNG
(3-(2-Fluoro-3-{4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Show SMILES FC(CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28F2N6/c26-21-3-1-2-19(12-21)6-7-31-8-10-32(11-9-31)16-22(27)13-20-15-28-25-5-4-23(14-24(20)25)33-17-29-30-18-33/h1-5,12,14-15,17-18,22,28H,6-11,13,16H2
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n/an/a 3.70n/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 1B


(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 98n/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))
BDBM50060434
PNG
(3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-...)
Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F
Show InChI InChI=1S/C25H28F2N6/c26-23-5-3-19(14-24(23)27)7-9-32-12-10-31(11-13-32)8-1-2-20-16-28-25-6-4-21(15-22(20)25)33-17-29-30-18-33/h3-6,14-18,28H,1-2,7-13H2
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n/an/a 83n/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))
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 1B


(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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n/an/a 20n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding from 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))
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/an/an/a 1.40n/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))
BDBM50074191
PNG
(3-(3-Piperazin-1-yl-propyl)-5-[1,2,4]triazol-4-yl-...)
Show SMILES C(CN1CCNCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C17H22N6/c1(7-22-8-5-18-6-9-22)2-14-11-19-17-4-3-15(10-16(14)17)23-12-20-21-13-23/h3-4,10-13,18-19H,1-2,5-9H2
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n/an/a 31n/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))
BDBM50060444
PNG
(3-[3-(4-Phenethyl-piperazin-1-yl)-propyl]-5-[1,2,4...)
Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H30N6/c1-2-5-21(6-3-1)10-12-30-15-13-29(14-16-30)11-4-7-22-18-26-25-9-8-23(17-24(22)25)31-19-27-28-20-31/h1-3,5-6,8-9,17-20,26H,4,7,10-16H2
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n/an/a 1.40n/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))
BDBM50074193
PNG
(3-{3-[4-(2-Pyridin-3-yl-ethyl)-piperazin-1-yl]-pro...)
Show SMILES C(CN1CCN(CCc2cccnc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H29N7/c1-3-20(16-25-8-1)7-10-30-13-11-29(12-14-30)9-2-4-21-17-26-24-6-5-22(15-23(21)24)31-18-27-28-19-31/h1,3,5-6,8,15-19,26H,2,4,7,9-14H2
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n/an/a 4.90n/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 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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n/an/an/an/a 0.300n/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))
BDBM50060443
PNG
(3-(3-{4-[2-(4-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C25H29FN6/c26-22-5-3-20(4-6-22)9-11-31-14-12-30(13-15-31)10-1-2-21-17-27-25-8-7-23(16-24(21)25)32-18-28-29-19-32/h3-8,16-19,27H,1-2,9-15H2
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n/an/an/an/a 1.5n/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
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))
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 0.5n/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))
BDBM50060434
PNG
(3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-...)
Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F
Show InChI InChI=1S/C25H28F2N6/c26-23-5-3-19(14-24(23)27)7-9-32-12-10-31(11-13-32)8-1-2-20-16-28-25-6-4-21(15-22(20)25)33-17-29-30-18-33/h3-6,14-18,28H,1-2,7-13H2
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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 1B


(Homo sapiens (Human))
BDBM50060443
PNG
(3-(3-{4-[2-(4-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C25H29FN6/c26-22-5-3-20(4-6-22)9-11-31-14-12-30(13-15-31)10-1-2-21-17-27-25-8-7-23(16-24(21)25)32-18-28-29-19-32/h3-8,16-19,27H,1-2,9-15H2
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PubMed
n/an/a 120n/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))
BDBM50060444
PNG
(3-[3-(4-Phenethyl-piperazin-1-yl)-propyl]-5-[1,2,4...)
Show SMILES C(CN1CCN(CCc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H30N6/c1-2-5-21(6-3-1)10-12-30-15-13-29(14-16-30)11-4-7-22-18-26-25-9-8-23(17-24(22)25)31-19-27-28-20-31/h1-3,5-6,8-9,17-20,26H,4,7,10-16H2
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n/an/a 166n/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))
BDBM50074202
PNG
(3-{3-[4-(2-Phenyl-propyl)-piperazin-1-yl]-propyl}-...)
Show SMILES CC(CN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-21(22-6-3-2-4-7-22)18-31-14-12-30(13-15-31)11-5-8-23-17-27-26-10-9-24(16-25(23)26)32-19-28-29-20-32/h2-4,6-7,9-10,16-17,19-21,27H,5,8,11-15,18H2,1H3
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n/an/a 0.800n/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))
BDBM50060435
PNG
(3-[3-(4-Methyl-piperazin-1-yl)-propyl]-5-[1,2,4]tr...)
Show SMILES CN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C18H24N6/c1-22-7-9-23(10-8-22)6-2-3-15-12-19-18-5-4-16(11-17(15)18)24-13-20-21-14-24/h4-5,11-14,19H,2-3,6-10H2,1H3
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n/an/a 309n/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))
BDBM50074193
PNG
(3-{3-[4-(2-Pyridin-3-yl-ethyl)-piperazin-1-yl]-pro...)
Show SMILES C(CN1CCN(CCc2cccnc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H29N7/c1-3-20(16-25-8-1)7-10-30-13-11-29(12-14-30)9-2-4-21-17-26-24-6-5-22(15-23(21)24)31-18-27-28-19-31/h1,3,5-6,8,15-19,26H,2,4,7,9-14H2
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n/an/a 93n/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))
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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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 1B


(Homo sapiens (Human))
BDBM50074191
PNG
(3-(3-Piperazin-1-yl-propyl)-5-[1,2,4]triazol-4-yl-...)
Show SMILES C(CN1CCNCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C17H22N6/c1(7-22-8-5-18-6-9-22)2-14-11-19-17-4-3-15(10-16(14)17)23-12-20-21-13-23/h3-4,10-13,18-19H,1-2,5-9H2
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n/an/a 145n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
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
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