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8 similar compounds to monomer 50077830

Compile data set for download or QSAR
Wt: 417.5
BDBM50065417
Wt: 417.5
BDBM50065418
Wt: 399.5
BDBM50065419
Wt: 449.5
BDBM50065421
Wt: 435.5
BDBM50077807
Wt: 449.5
BDBM50077808
Wt: 449.5
BDBM50077820
Wt: 431.5
BDBM50077824

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50065417,50065418,50065419,50065421,50077807,50077808,50077820,50077824   
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))
BDBM50065417
PNG
(3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...)
Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2
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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 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))
BDBM50065417
PNG
(3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...)
Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


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


J Med Chem 58: 8315-59 (2015)


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


(Homo sapiens (Human))
BDBM50065418
PNG
(3-[3-(4-Benzyl-piperidin-1-yl)-2-fluoro-propyl]-5-...)
Show SMILES FC(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28FN5/c26-22(16-30-10-8-20(9-11-30)12-19-4-2-1-3-5-19)13-21-15-27-25-7-6-23(14-24(21)25)31-17-28-29-18-31/h1-7,14-15,17-18,20,22,27H,8-13,16H2
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n/an/an/an/a 11n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 41: 2667-70 (1998)


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


(Homo sapiens (Human))
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/an/an/a 0.600n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 41: 2667-70 (1998)


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


(Homo sapiens (Human))
BDBM50065421
PNG
(3-(3-{4-Fluoro-4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Show SMILES Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H29F2N5/c27-22-5-1-3-20(15-22)8-9-26(28)10-13-32(14-11-26)12-2-4-21-17-29-25-7-6-23(16-24(21)25)33-18-30-31-19-33/h1,3,5-7,15-19,29H,2,4,8-14H2
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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 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))
BDBM50065418
PNG
(3-[3-(4-Benzyl-piperidin-1-yl)-2-fluoro-propyl]-5-...)
Show SMILES FC(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28FN5/c26-22(16-30-10-8-20(9-11-30)12-19-4-2-1-3-5-19)13-21-15-27-25-7-6-23(14-24(21)25)31-17-28-29-18-31/h1-7,14-15,17-18,20,22,27H,8-13,16H2
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n/an/a 62n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
BDBM50065421
PNG
(3-(3-{4-Fluoro-4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Show SMILES Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H29F2N5/c27-22-5-1-3-20(15-22)8-9-26(28)10-13-32(14-11-26)12-2-4-21-17-29-25-7-6-23(16-24(21)25)33-18-30-31-19-33/h1,3,5-7,15-19,29H,2,4,8-14H2
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n/an/an/an/a 440n/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))
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/an/an/a 0.600n/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
BDBM50065417
PNG
(3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...)
Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2
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n/an/an/an/a 66n/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))
BDBM50065417
PNG
(3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...)
Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2
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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 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))
BDBM50065418
PNG
(3-[3-(4-Benzyl-piperidin-1-yl)-2-fluoro-propyl]-5-...)
Show SMILES FC(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28FN5/c26-22(16-30-10-8-20(9-11-30)12-19-4-2-1-3-5-19)13-21-15-27-25-7-6-23(14-24(21)25)31-17-28-29-18-31/h1-7,14-15,17-18,20,22,27H,8-13,16H2
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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 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))
BDBM50065417
PNG
(3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...)
Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2
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n/an/an/an/a 0.5n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 41: 2667-70 (1998)


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


(Homo sapiens (Human))
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))
BDBM50065418
PNG
(3-[3-(4-Benzyl-piperidin-1-yl)-2-fluoro-propyl]-5-...)
Show SMILES FC(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28FN5/c26-22(16-30-10-8-20(9-11-30)12-19-4-2-1-3-5-19)13-21-15-27-25-7-6-23(14-24(21)25)31-17-28-29-18-31/h1-7,14-15,17-18,20,22,27H,8-13,16H2
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n/an/a 0.950n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
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))
BDBM50065421
PNG
(3-(3-{4-Fluoro-4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Show SMILES Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H29F2N5/c27-22-5-1-3-20(15-22)8-9-26(28)10-13-32(14-11-26)12-2-4-21-17-29-25-7-6-23(16-24(21)25)33-18-30-31-19-33/h1,3,5-7,15-19,29H,2,4,8-14H2
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n/an/a 0.75n/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))
BDBM50077808
PNG
(3-(3-{4-Fluoro-4-[2-(4-fluoro-phenyl)-ethyl]-piper...)
Show SMILES Fc1ccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C26H29F2N5/c27-22-5-3-20(4-6-22)9-10-26(28)11-14-32(15-12-26)13-1-2-21-17-29-25-8-7-23(16-24(21)25)33-18-30-31-19-33/h3-8,16-19,29H,1-2,9-15H2
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n/an/a 25n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
BDBM50065418
PNG
(3-[3-(4-Benzyl-piperidin-1-yl)-2-fluoro-propyl]-5-...)
Show SMILES FC(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28FN5/c26-22(16-30-10-8-20(9-11-30)12-19-4-2-1-3-5-19)13-21-15-27-25-7-6-23(14-24(21)25)31-17-28-29-18-31/h1-7,14-15,17-18,20,22,27H,8-13,16H2
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n/an/an/an/a 450n/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 1B


(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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n/an/a 3.10n/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 1B receptor expressed in CHO cells


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
BDBM50065417
PNG
(3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...)
Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2
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n/an/a 15n/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))
BDBM50077808
PNG
(3-(3-{4-Fluoro-4-[2-(4-fluoro-phenyl)-ethyl]-piper...)
Show SMILES Fc1ccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C26H29F2N5/c27-22-5-3-20(4-6-22)9-10-26(28)11-14-32(15-12-26)13-1-2-21-17-29-25-8-7-23(16-24(21)25)33-18-30-31-19-33/h3-8,16-19,29H,1-2,9-15H2
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n/an/a 1n/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))
BDBM50077820
PNG
(3-(3-{4-Fluoro-4-[2-(2-fluoro-phenyl)-ethyl]-piper...)
Show SMILES Fc1ccccc1CCC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H29F2N5/c27-24-6-2-1-4-20(24)9-10-26(28)11-14-32(15-12-26)13-3-5-21-17-29-25-8-7-22(16-23(21)25)33-18-30-31-19-33/h1-2,4,6-8,16-19,29H,3,5,9-15H2
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n/an/a 16n/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))
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 1B


(Homo sapiens (Human))
BDBM50077824
PNG
(3-[3-(4-Fluoro-4-phenethyl-piperidin-1-yl)-propyl]...)
Show SMILES FC1(CCc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H30FN5/c27-26(11-10-21-5-2-1-3-6-21)12-15-31(16-13-26)14-4-7-22-18-28-25-9-8-23(17-24(22)25)32-19-29-30-20-32/h1-3,5-6,8-9,17-20,28H,4,7,10-16H2
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n/an/a 49n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
BDBM50065421
PNG
(3-(3-{4-Fluoro-4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Show SMILES Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H29F2N5/c27-22-5-1-3-20(15-22)8-9-26(28)10-13-32(14-11-26)12-2-4-21-17-29-25-7-6-23(16-24(21)25)33-18-30-31-19-33/h1,3,5-7,15-19,29H,2,4,8-14H2
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n/an/a 22n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
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/an/an/a 120n/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))
BDBM50065417
PNG
(3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...)
Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2
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n/an/an/an/a 0.400n/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
BDBM50065421
PNG
(3-(3-{4-Fluoro-4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Show SMILES Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H29F2N5/c27-22-5-1-3-20(15-22)8-9-26(28)10-13-32(14-11-26)12-2-4-21-17-29-25-7-6-23(16-24(21)25)33-18-30-31-19-33/h1,3,5-7,15-19,29H,2,4,8-14H2
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n/an/an/an/a 5n/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
BDBM50077820
PNG
(3-(3-{4-Fluoro-4-[2-(2-fluoro-phenyl)-ethyl]-piper...)
Show SMILES Fc1ccccc1CCC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H29F2N5/c27-24-6-2-1-4-20(24)9-10-26(28)11-14-32(15-12-26)13-3-5-21-17-29-25-8-7-22(16-23(21)25)33-18-30-31-19-33/h1-2,4,6-8,16-19,29H,3,5,9-15H2
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n/an/a 0.800n/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))
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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n/an/a 0.100n/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))
BDBM50065418
PNG
(3-[3-(4-Benzyl-piperidin-1-yl)-2-fluoro-propyl]-5-...)
Show SMILES FC(CN1CCC(Cc2ccccc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C25H28FN5/c26-22(16-30-10-8-20(9-11-30)12-19-4-2-1-3-5-19)13-21-15-27-25-7-6-23(14-24(21)25)31-17-28-29-18-31/h1-7,14-15,17-18,20,22,27H,8-13,16H2
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n/an/an/an/a 0.900n/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
BDBM50077824
PNG
(3-[3-(4-Fluoro-4-phenethyl-piperidin-1-yl)-propyl]...)
Show SMILES FC1(CCc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H30FN5/c27-26(11-10-21-5-2-1-3-6-21)12-15-31(16-13-26)14-4-7-22-18-28-25-9-8-23(17-24(22)25)32-19-29-30-20-32/h1-3,5-6,8-9,17-20,28H,4,7,10-16H2
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n/an/a 2n/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))
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



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))
BDBM50065417
PNG
(3-[3-(4-Benzyl-4-fluoro-piperidin-1-yl)-propyl]-5-...)
Show SMILES FC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H28FN5/c26-25(16-20-5-2-1-3-6-20)10-13-30(14-11-25)12-4-7-21-17-27-24-9-8-22(15-23(21)24)31-18-28-29-19-31/h1-3,5-6,8-9,15,17-19,27H,4,7,10-14,16H2
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


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


J Med Chem 58: 8315-59 (2015)


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


(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 19n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


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


J Med Chem 58: 8315-59 (2015)


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


(Homo sapiens (Human))
BDBM50065421
PNG
(3-(3-{4-Fluoro-4-[2-(3-fluoro-phenyl)-ethyl]-piper...)
Show SMILES Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H29F2N5/c27-22-5-1-3-20(15-22)8-9-26(28)10-13-32(14-11-26)12-2-4-21-17-29-25-7-6-23(16-24(21)25)33-18-30-31-19-33/h1,3,5-7,15-19,29H,2,4,8-14H2
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n/an/an/an/a 5.10n/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