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Compile Data Set for Download or QSAR

Found 1256 hits with Last Name = 'stanton' and Initial = 'j'   
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
thyroid beta


(RAT)
BDBM50036427
PNG
(CHEMBL350265 | [3,5-Dibromo-4-(4-hydroxy-3-isoprop...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(OCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H16Br2O5/c1-9(2)12-5-10(3-4-15(12)20)24-17-13(18)6-11(7-14(17)19)23-8-16(21)22/h3-7,9,20H,8H2,1-2H3,(H,21,22)
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n/an/a 0.100n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


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

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036401
PNG
(CHEMBL163221 | N-[4-(4-Hydroxy-3-isopropyl-phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(NC(=O)C(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C17H15I2NO5/c1-8(2)11-7-10(3-4-14(11)21)25-15-12(18)5-9(6-13(15)19)20-16(22)17(23)24/h3-8,21H,1-2H3,(H,20,22)(H,23,24)
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Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074186
PNG
(3-{3-[4-(4-Fluoro-benzyl)-piperazin-1-yl]-propyl}-...)
Show SMILES Fc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C24H27FN6/c25-21-5-3-19(4-6-21)16-30-12-10-29(11-13-30)9-1-2-20-15-26-24-8-7-22(14-23(20)24)31-17-27-28-18-31/h3-8,14-15,17-18,26H,1-2,9-13,16H2
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Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50077807
PNG
(3-{3-[4-Fluoro-4-(2-fluoro-benzyl)-piperidin-1-yl]...)
Show SMILES Fc1ccccc1CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H27F2N5/c26-23-6-2-1-4-19(23)15-25(27)9-12-31(13-10-25)11-3-5-20-16-28-24-8-7-21(14-22(20)24)32-17-29-30-18-32/h1-2,4,6-8,14,16-18,28H,3,5,9-13,15H2
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Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
BDBM50083658
PNG
(4-Benzyl-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl...)
Show SMILES OC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H29N5O/c31-25(16-20-5-2-1-3-6-20)10-13-29(14-11-25)12-4-7-21-17-26-24-9-8-22(15-23(21)24)30-18-27-28-19-30/h1-3,5-6,8-9,15,17-19,26,31H,4,7,10-14,16H2
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Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-5-HT from recombinant human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells determined in vitro


Bioorg Med Chem Lett 9: 3369-74 (2000)


Article DOI: 10.1016/s0960-894x(99)00614-9
BindingDB Entry DOI: 10.7270/Q22F7MNB
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM18865
PNG
(3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C18H18Br2O4/c1-10(2)13-9-12(4-5-16(13)21)24-18-14(19)7-11(8-15(18)20)3-6-17(22)23/h4-5,7-10,21H,3,6H2,1-2H3,(H,22,23)
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n/an/a 0.110n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1D


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



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


Article DOI: 10.1021/jm981133m
BindingDB Entry DOI: 10.7270/Q2765DHF
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM18862
PNG
(2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]ac...)
Show SMILES OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)
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n/an/a 0.150n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
thyroid beta


(RAT)
BDBM50036402
PNG
(CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H21NO5/c1-10(2)15-9-14(5-6-16(15)21)25-17-11(3)7-13(8-12(17)4)20-18(22)19(23)24/h5-10,21H,1-4H3,(H,20,22)(H,23,24)
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n/an/a 0.190n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


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

Curated by ChEMBL


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


J Med Chem 40: 3501-3 (1997)


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


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

Curated by ChEMBL


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


J Med Chem 41: 2667-70 (1998)


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


(Homo sapiens (Human))
BDBM50074188
PNG
(2-Phenyl-2-{4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES NC(=O)C(N1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H29N7O/c26-25(33)24(19-5-2-1-3-6-19)31-13-11-30(12-14-31)10-4-7-20-16-27-23-9-8-21(15-22(20)23)32-17-28-29-18-32/h1-3,5-6,8-9,15-18,24,27H,4,7,10-14H2,(H2,26,33)
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Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074205
PNG
(CHEMBL161176 | N-(3-{4-[3-(5-[1,2,4]Triazol-4-yl-1...)
Show SMILES CC(=O)Nc1cccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C26H31N7O/c1-20(34)30-23-6-2-4-21(14-23)17-32-12-10-31(11-13-32)9-3-5-22-16-27-26-8-7-24(15-25(22)26)33-18-28-29-19-33/h2,4,6-8,14-16,18-19,27H,3,5,9-13,17H2,1H3,(H,30,34)
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Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036399
PNG
(Axitirome | CHEMBL159682 | N-(4-{3-[(4-Fluoro-phen...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(O)c2ccc(F)cc2)c(C)c1
Show InChI InChI=1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30)
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n/an/a 0.230n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036418
PNG
(CHEMBL350049 | N-[4-(4-Hydroxy-3-isopropyl-phenoxy...)
Show SMILES CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c(c2)C(C)C)c(C)c1
Show InChI InChI=1S/C21H25NO5/c1-6-26-21(25)20(24)22-15-9-13(4)19(14(5)10-15)27-16-7-8-18(23)17(11-16)12(2)3/h7-12,23H,6H2,1-5H3,(H,22,24)
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n/an/a 0.230n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036423
PNG
(CHEMBL164421 | N-[4-(4-Hydroxy-3-isopropyl-phenoxy...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(=O)OCc3ccccc3)cc2C)ccc1O
Show InChI InChI=1S/C26H27NO5/c1-16(2)22-14-21(10-11-23(22)28)32-24-17(3)12-20(13-18(24)4)27-25(29)26(30)31-15-19-8-6-5-7-9-19/h5-14,16,28H,15H2,1-4H3,(H,27,29)
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n/an/a 0.260n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036411
PNG
(CHEMBL163324 | N-{3,5-Dichloro-4-[3-(4-chloro-benz...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(Cl)cc3)c2)c(Cl)c1
Show InChI InChI=1S/C21H14Cl3NO5/c22-13-3-1-11(2-4-13)7-12-8-15(5-6-18(12)26)30-19-16(23)9-14(10-17(19)24)25-20(27)21(28)29/h1-6,8-10,26H,7H2,(H,25,27)(H,28,29)
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n/an/a 0.270n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074206
PNG
(3-[3-(4-Pyridin-3-ylmethyl-piperazin-1-yl)-propyl]...)
Show SMILES C(CN1CCN(Cc2cccnc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C23H27N7/c1-3-19(14-24-7-1)16-29-11-9-28(10-12-29)8-2-4-20-15-25-23-6-5-21(13-22(20)23)30-17-26-27-18-30/h1,3,5-7,13-15,17-18,25H,2,4,8-12,16H2
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Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50077814
PNG
(3-{3-[4-Fluoro-4-(2-trifluoromethyl-benzyl)-piperi...)
Show SMILES FC(F)(F)c1ccccc1CC1(F)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H27F4N5/c27-25(15-19-4-1-2-6-23(19)26(28,29)30)9-12-34(13-10-25)11-3-5-20-16-31-24-8-7-21(14-22(20)24)35-17-32-33-18-35/h1-2,4,6-8,14,16-18,31H,3,5,9-13,15H2
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n/an/a 0.300n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 2087-104 (1999)


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


(Homo sapiens (Human))
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In Vitro Binding affinity againist 5-HT1A receptor by displacing [3H]8-OH-DPAT from pig cortex


Bioorg Med Chem Lett 4: 1207-1212 (1994)


Article DOI: 10.1016/S0960-894X(01)80331-0
BindingDB Entry DOI: 10.7270/Q2TH8P0J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


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



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


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

Curated by ChEMBL


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


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


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

Curated by ChEMBL


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


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


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

Curated by ChEMBL


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


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


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

Curated by ChEMBL


Assay Description
Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
thyroid beta


(RAT)
BDBM50036410
PNG
(CHEMBL159976 | [4-(4-Hydroxy-3-isopropyl-phenoxy)-...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(NCC(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C17H17I2NO4/c1-9(2)12-7-11(3-4-15(12)21)24-17-13(18)5-10(6-14(17)19)20-8-16(22)23/h3-7,9,20-21H,8H2,1-2H3,(H,22,23)
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n/an/a 0.310n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
Ability to inhibit the bound [125I]L-T3 rat liver Nuclear L-triiodothyronine receptor is determined in vitro.


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060430
PNG
(((R)-1-Phenyl-ethyl)-{1-[3-(5-[1,2,4]triazol-4-yl-...)
Show SMILES C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C26H32N6/c1-20(21-6-3-2-4-7-21)30-23-11-14-31(15-12-23)13-5-8-22-17-27-26-10-9-24(16-25(22)26)32-18-28-29-19-32/h2-4,6-7,9-10,16-20,23,27,30H,5,8,11-15H2,1H3/t20-/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074171
PNG
((S)-4-(3-{2-[(S)-3-(Benzylamino-methyl)-pyrrolidin...)
Show SMILES O=C1N[C@@H](Cc2ccc3[nH]cc(CCN4CC[C@@H](CNCc5ccccc5)C4)c3c2)CO1
Show InChI InChI=1S/C26H32N4O2/c31-26-29-23(18-32-26)12-20-6-7-25-24(13-20)22(16-28-25)9-11-30-10-8-21(17-30)15-27-14-19-4-2-1-3-5-19/h1-7,13,16,21,23,27-28H,8-12,14-15,17-18H2,(H,29,31)/t21-,23-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074171
PNG
((S)-4-(3-{2-[(S)-3-(Benzylamino-methyl)-pyrrolidin...)
Show SMILES O=C1N[C@@H](Cc2ccc3[nH]cc(CCN4CC[C@@H](CNCc5ccccc5)C4)c3c2)CO1
Show InChI InChI=1S/C26H32N4O2/c31-26-29-23(18-32-26)12-20-6-7-25-24(13-20)22(16-28-25)9-11-30-10-8-21(17-30)15-27-14-19-4-2-1-3-5-19/h1-7,13,16,21,23,27-28H,8-12,14-15,17-18H2,(H,29,31)/t21-,23-/m0/s1
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Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


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


(RAT)
BDBM50036424
PNG
(CHEMBL159334 | N-{3,5-Dichloro-4-[3-(4-fluoro-benz...)
Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(c2)C(=O)c2ccc(F)cc2)c(Cl)c1
Show InChI InChI=1S/C21H12Cl2FNO6/c22-15-7-12(25-20(28)21(29)30)8-16(23)19(15)31-13-5-6-17(26)14(9-13)18(27)10-1-3-11(24)4-2-10/h1-9,26H,(H,25,28)(H,29,30)
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n/an/a 0.370n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074198
PNG
(3-[3-(4-Pyridin-2-ylmethyl-piperazin-1-yl)-propyl]...)
Show SMILES C(CN1CCN(Cc2ccccn2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C23H27N7/c1-2-8-24-20(5-1)16-29-12-10-28(11-13-29)9-3-4-19-15-25-23-7-6-21(14-22(19)23)30-17-26-27-18-30/h1-2,5-8,14-15,17-18,25H,3-4,9-13,16H2
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n/an/a 0.400n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


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


(Homo sapiens (Human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of Human kideny renin


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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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
thyroid beta


(RAT)
BDBM50036408
PNG
(CHEMBL161828 | N-{4-[3-(4-Chloro-benzyl)-4-hydroxy...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c(Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H20ClNO5/c1-13-9-18(25-22(27)23(28)29)10-14(2)21(13)30-19-7-8-20(26)16(12-19)11-15-3-5-17(24)6-4-15/h3-10,12,26H,11H2,1-2H3,(H,25,27)(H,28,29)
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n/an/a 0.430n/an/an/an/an/an/a



Ciba Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor


J Med Chem 38: 695-707 (1995)


Article DOI: 10.1021/jm00004a015
BindingDB Entry DOI: 10.7270/Q2T43TRC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083665
PNG
(4-(Benzylamino-methyl)-1-[3-(5-[1,2,4]triazol-4-yl...)
Show SMILES OC1(CNCc2ccccc2)CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C26H32N6O/c33-26(18-27-16-21-5-2-1-3-6-21)10-13-31(14-11-26)12-4-7-22-17-28-25-9-8-23(15-24(22)25)32-19-29-30-20-32/h1-3,5-6,8-9,15,17,19-20,27-28,33H,4,7,10-14,16,18H2
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n/an/a 0.450n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-5-HT from recombinant human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells determined in vitro


Bioorg Med Chem Lett 9: 3369-74 (2000)


Article DOI: 10.1016/s0960-894x(99)00614-9
BindingDB Entry DOI: 10.7270/Q22F7MNB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074177
PNG
(CHEMBL349185 | Furan-3-ylmethyl-{(S)-1-[2-(5-[1,2,...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccoc2)C1
Show InChI InChI=1S/C22H26N6O/c1-2-22-21(9-20(1)28-15-25-26-16-28)19(12-24-22)4-7-27-6-3-17(13-27)10-23-11-18-5-8-29-14-18/h1-2,5,8-9,12,14-17,23-24H,3-4,6-7,10-11,13H2/t17-/m0/s1
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n/an/a 0.450n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


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



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060437
PNG
(3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2
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Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083120
PNG
(CHEMBL148233 | Methyl-(3-methyl-but-2-enyl)-{1-[3-...)
Show SMILES CN(CC=C(C)C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C24H34N6/c1-19(2)8-12-28(3)21-9-13-29(14-10-21)11-4-5-20-16-25-24-7-6-22(15-23(20)24)30-17-26-27-18-30/h6-8,15-18,21,25H,4-5,9-14H2,1-3H3
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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))
BDBM50060437
PNG
(3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2
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n/an/a 0.5n/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))
BDBM50060425
PNG
(Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50074200
PNG
(3-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-5-[...)
Show SMILES C(CN1CCN(CC1)c1ncccn1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C21H24N8/c1(8-27-9-11-28(12-10-27)21-22-6-2-7-23-21)3-17-14-24-20-5-4-18(13-19(17)20)29-15-25-26-16-29/h2,4-7,13-16,24H,1,3,8-12H2
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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))
BDBM50060425
PNG
(Benzyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m0/s1
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Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


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

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060436
PNG
(3-(3-{4-[2-(2-Fluoro-phenyl)-ethyl]-piperazin-1-yl...)
Show SMILES Fc1ccccc1CCN1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
Show InChI InChI=1S/C25H29FN6/c26-24-6-2-1-4-20(24)9-11-31-14-12-30(13-15-31)10-3-5-21-17-27-25-8-7-22(16-23(21)25)32-18-28-29-19-32/h1-2,4,6-8,16-19,27H,3,5,9-15H2
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Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
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