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Compile Data Set for Download or QSAR

Found 319 hits with Last Name = 'xin' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090529
PNG
(2-[1-(Naphthalene-1-sulfonyl)-1H-indol-6-yl]-octah...)
Show SMILES O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)N1CCN2CCCC2C1
Show InChI InChI=1S/C25H25N3O2S/c29-31(30,25-9-3-6-19-5-1-2-8-23(19)25)28-14-12-20-10-11-21(17-24(20)28)27-16-15-26-13-4-7-22(26)18-27/h1-3,5-6,8-12,14,17,22H,4,7,13,15-16,18H2
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0.200n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090516
PNG
(5-tert-Butyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C18H26N2/c1-18(2,3)14-7-8-17-16(11-14)13(12-19-17)10-15-6-5-9-20(15)4/h7-8,11-12,15,19H,5-6,9-10H2,1-4H3/t15-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090517
PNG
(5-Isopropyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C17H24N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10-12,15,18H,4-5,8-9H2,1-3H3/t15-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090519
PNG
(CHEMBL300519 | [2-(5-Isopropyl-1H-indol-3-yl)-ethy...)
Show SMILES CC(C)c1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C15H22N2/c1-11(2)12-5-6-15-14(9-12)13(10-16-15)7-8-17(3)4/h5-6,9-11,16H,7-8H2,1-4H3
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0.400n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090523
PNG
(2-(5-tert-Butyl-1-methyl-1H-indol-3-yl)-ethylamine...)
Show SMILES Cn1cc(CCN)c2cc(ccc12)C(C)(C)C
Show InChI InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(7-8-16)10-17(14)4/h5-6,9-10H,7-8,16H2,1-4H3
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0.450n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50090527
PNG
(1-(Naphthalene-1-sulfonyl)-6-(octahydro-indolizin-...)
Show SMILES O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)C1CCN2CCCC2C1
Show InChI InChI=1S/C26H26N2O2S/c29-31(30,26-9-3-6-19-5-1-2-8-24(19)26)28-16-13-20-10-11-21(18-25(20)28)22-12-15-27-14-4-7-23(27)17-22/h1-3,5-6,8-11,13,16,18,22-23H,4,7,12,14-15,17H2
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0.600n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50090527
PNG
(1-(Naphthalene-1-sulfonyl)-6-(octahydro-indolizin-...)
Show SMILES O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)C1CCN2CCCC2C1
Show InChI InChI=1S/C26H26N2O2S/c29-31(30,26-9-3-6-19-5-1-2-8-24(19)26)28-16-13-20-10-11-21(18-25(20)28)22-12-15-27-14-4-7-23(27)17-22/h1-3,5-6,8-11,13,16,18,22-23H,4,7,12,14-15,17H2
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0.800n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50060429
PNG
((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...)
Show SMILES OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4409-13 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.025
BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090522
PNG
(5-Ethyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-...)
Show SMILES CCc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C16H22N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h6-7,9,11,14,17H,3-5,8,10H2,1-2H3/t14-/m1/s1
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0.970n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50098549
PNG
((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2C#N)c-31
Show InChI InChI=1S/C25H22N2/c1-16-6-3-9-19(15-26)23(16)20-10-5-8-18-14-22-25-17(12-13-27(22)2)7-4-11-21(25)24(18)20/h3-11,22H,12-14H2,1-2H3/t22-/m1/s1
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1n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090530
PNG
(6-(1,2,3,5,8,8a-Hexahydro-indolizin-7-yl)-1-(napht...)
Show SMILES O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)C1=CCN2CCCC2C1
Show InChI InChI=1S/C26H24N2O2S/c29-31(30,26-9-3-6-19-5-1-2-8-24(19)26)28-16-13-20-10-11-21(18-25(20)28)22-12-15-27-14-4-7-23(27)17-22/h1-3,5-6,8-13,16,18,23H,4,7,14-15,17H2
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1.30n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136466
PNG
(CHEMBL343492 | Dimethyl-[2-(6-pyridin-3-yl-indol-1...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)-c1cccnc1
Show InChI InChI=1S/C17H19N3/c1-19(2)10-11-20-9-7-14-5-6-15(12-17(14)20)16-4-3-8-18-13-16/h3-9,12-13H,10-11H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4409-13 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.025
BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090533
PNG
(2-[1-(Naphthalene-1-sulfonyl)-1H-indol-6-yl]-octah...)
Show SMILES O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)N1CCN2CCCCC2C1
Show InChI InChI=1S/C26H27N3O2S/c30-32(31,26-10-5-7-20-6-1-2-9-24(20)26)29-15-13-21-11-12-22(18-25(21)29)28-17-16-27-14-4-3-8-23(27)19-28/h1-2,5-7,9-13,15,18,23H,3-4,8,14,16-17,19H2
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1.70n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50136469
PNG
(4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrah...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1(O)CCSCC1
Show InChI InChI=1S/C17H24N2OS/c1-18(2)9-10-19-8-5-14-3-4-15(13-16(14)19)17(20)6-11-21-12-7-17/h3-5,8,13,20H,6-7,9-12H2,1-2H3
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2n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4409-13 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.025
BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116963
PNG
(2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)...)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)
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2.10n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090521
PNG
(5-tert-Butyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole...)
Show SMILES CC(C)(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
Show InChI InChI=1S/C18H26N2/c1-18(2,3)15-6-7-17-16(12-15)14(13-19-17)8-11-20-9-4-5-10-20/h6-7,12-13,19H,4-5,8-11H2,1-3H3
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2.5n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090532
PNG
(2-[1-(Naphthalene-2-sulfonyl)-1H-indol-6-yl]-octah...)
Show SMILES O=S(=O)(c1ccc2ccccc2c1)n1ccc2ccc(cc12)N1CCN2CCCCC2C1
Show InChI InChI=1S/C26H27N3O2S/c30-32(31,25-11-9-20-5-1-2-6-22(20)17-25)29-14-12-21-8-10-23(18-26(21)29)28-16-15-27-13-4-3-7-24(27)19-28/h1-2,5-6,8-12,14,17-18,24H,3-4,7,13,15-16,19H2
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3n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116967
PNG
(2-[2-(6-Bromo-indol-1-yl)-ethyl]-decahydro-pyrido[...)
Show SMILES Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Show InChI InChI=1S/C19H26BrN3/c20-17-6-5-16-7-11-23(19(16)14-17)13-12-21-8-3-10-22-9-2-1-4-18(22)15-21/h5-7,11,14,18H,1-4,8-10,12-13,15H2
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3n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090536
PNG
(2-[1-(Toluene-4-sulfonyl)-1H-indol-6-yl]-octahydro...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1ccc2ccc(cc12)N1CCN2CCCC2C1
Show InChI InChI=1S/C22H25N3O2S/c1-17-4-8-21(9-5-17)28(26,27)25-12-10-18-6-7-19(15-22(18)25)24-14-13-23-11-2-3-20(23)16-24/h4-10,12,15,20H,2-3,11,13-14,16H2,1H3
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3.30n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136462
PNG
(4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrah...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1(O)CCOCC1
Show InChI InChI=1S/C17H24N2O2/c1-18(2)9-10-19-8-5-14-3-4-15(13-16(14)19)17(20)6-11-21-12-7-17/h3-5,8,13,20H,6-7,9-12H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4409-13 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.025
BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090515
PNG
(5-Methyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(C)cc12
Show InChI InChI=1S/C15H20N2/c1-11-5-6-15-14(8-11)12(10-16-15)9-13-4-3-7-17(13)2/h5-6,8,10,13,16H,3-4,7,9H2,1-2H3/t13-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090535
PNG
(2-[1-(2,4-Difluoro-benzenesulfonyl)-1H-indol-6-yl]...)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)n1ccc2ccc(cc12)N1CCN2CCCCC2C1
Show InChI InChI=1S/C22H23F2N3O2S/c23-17-5-7-22(20(24)13-17)30(28,29)27-10-8-16-4-6-18(14-21(16)27)26-12-11-25-9-2-1-3-19(25)15-26/h4-8,10,13-14,19H,1-3,9,11-12,15H2
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3.60n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136465
PNG
(CHEMBL343105 | Dimethyl-{2-[6-(tetrahydro-pyran-4-...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1CCOCC1
Show InChI InChI=1S/C17H24N2O/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4409-13 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.025
BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136471
PNG
((S)-1-{2-[4-(4-Carbamoyl-phenyl)-piperazin-1-yl]-e...)
Show SMILES CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(cc3)C(N)=O)OCCc2c1
Show InChI InChI=1S/C24H30N4O3/c1-26-24(30)19-4-7-21-18(16-19)9-15-31-22(21)8-10-27-11-13-28(14-12-27)20-5-2-17(3-6-20)23(25)29/h2-7,16,22H,8-15H2,1H3,(H2,25,29)(H,26,30)/t22-/m0/s1
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4.60n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4409-13 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.025
BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090531
PNG
(7-[1-(Naphthalene-1-sulfonyl)-1H-indol-6-yl]-octah...)
Show SMILES OC1(CCN2CCCC2C1)c1ccc2ccn(c2c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H26N2O3S/c29-26(13-16-27-14-4-7-22(27)18-26)21-11-10-20-12-15-28(24(20)17-21)32(30,31)25-9-3-6-19-5-1-2-8-23(19)25/h1-3,5-6,8-12,15,17,22,29H,4,7,13-14,16,18H2
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4.70n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090534
PNG
(2-[1-(Toluene-4-sulfonyl)-1H-indol-6-yl]-octahydro...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1ccc2ccc(cc12)N1CCN2CCCCC2C1
Show InChI InChI=1S/C23H27N3O2S/c1-18-5-9-22(10-6-18)29(27,28)26-13-11-19-7-8-20(16-23(19)26)25-15-14-24-12-3-2-4-21(24)17-25/h5-11,13,16,21H,2-4,12,14-15,17H2,1H3
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4.90n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50090518
PNG
(5-Isopropyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole ...)
Show SMILES CC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1
Show InChI InChI=1S/C17H24N2/c1-13(2)14-5-6-17-16(11-14)15(12-18-17)7-10-19-8-3-4-9-19/h5-6,11-13,18H,3-4,7-10H2,1-2H3
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5.30n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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5.5n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136464
PNG
(CHEMBL138873 | Dimethyl-{2-[6-(tetrahydro-thiopyra...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1CCSCC1
Show InChI InChI=1S/C17H24N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-5,8,13-14H,6-7,9-12H2,1-2H3
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5.60n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4409-13 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.025
BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090526
PNG
(2-(1-Benzenesulfonyl-1H-indol-6-yl)-octahydro-pyri...)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2ccc(cc12)N1CCN2CCCCC2C1
Show InChI InChI=1S/C22H25N3O2S/c26-28(27,21-7-2-1-3-8-21)25-13-11-18-9-10-19(16-22(18)25)24-15-14-23-12-5-4-6-20(23)17-24/h1-3,7-11,13,16,20H,4-6,12,14-15,17H2
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5.70n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116960
PNG
(2-[2-(6-Trifluoromethyl-indol-1-yl)-ethyl]-decahyd...)
Show SMILES FC(F)(F)c1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Show InChI InChI=1S/C20H26F3N3/c21-20(22,23)17-6-5-16-7-11-26(19(16)14-17)13-12-24-8-3-10-25-9-2-1-4-18(25)15-24/h5-7,11,14,18H,1-4,8-10,12-13,15H2
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7n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136468
PNG
(CHEMBL138821 | Dimethyl-[2-(6-thiophen-3-yl-indol-...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)-c1ccsc1
Show InChI InChI=1S/C16H18N2S/c1-17(2)8-9-18-7-5-13-3-4-14(11-16(13)18)15-6-10-19-12-15/h3-7,10-12H,8-9H2,1-2H3
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7.30n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4409-13 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.025
BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116971
PNG
(6-Bromo-1-[2-(4-cyclopropylmethyl-[1,4]diazepan-1-...)
Show SMILES Brc1ccc2ccn(CCN3CCCN(CC4CC4)CC3)c2c1
Show InChI InChI=1S/C19H26BrN3/c20-18-5-4-17-6-9-23(19(17)14-18)13-12-21-7-1-8-22(11-10-21)15-16-2-3-16/h4-6,9,14,16H,1-3,7-8,10-13,15H2
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9n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50090517
PNG
(5-Isopropyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C17H24N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10-12,15,18H,4-5,8-9H2,1-3H3/t15-/m1/s1
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10n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116970
PNG
(6-Bromo-1-[2-(4-cyclopentyl-[1,4]diazepan-1-yl)-et...)
Show SMILES Brc1ccc2ccn(CCN3CCCN(CC3)C3CCCC3)c2c1
Show InChI InChI=1S/C20H28BrN3/c21-18-7-6-17-8-11-24(20(17)16-18)15-13-22-9-3-10-23(14-12-22)19-4-1-2-5-19/h6-8,11,16,19H,1-5,9-10,12-15H2
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10n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116951
PNG
(2-[2-(6-Chloro-indol-1-yl)-ethyl]-decahydro-pyrido...)
Show SMILES Clc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Show InChI InChI=1S/C19H26ClN3/c20-17-6-5-16-7-11-23(19(16)14-17)13-12-21-8-3-10-22-9-2-1-4-18(22)15-21/h5-7,11,14,18H,1-4,8-10,12-13,15H2
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10n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090524
PNG
(4-Amino-N-(2,6-bis-methylamino-pyridin-4-yl)-benze...)
Show SMILES CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
Show InChI InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
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13n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-hydroxytryptamine 6 receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 1719-21 (2000)


Article DOI: 10.1016/s0960-894x(00)00320-6
BindingDB Entry DOI: 10.7270/Q2BP021W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50090519
PNG
(CHEMBL300519 | [2-(5-Isopropyl-1H-indol-3-yl)-ethy...)
Show SMILES CC(C)c1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C15H22N2/c1-11(2)12-5-6-15-14(9-12)13(10-16-15)7-8-17(3)4/h5-6,9-11,16H,7-8H2,1-4H3
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14n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116943
PNG
(6-Bromo-1-[2-(4-isopropyl-[1,4]diazepan-1-yl)-ethy...)
Show SMILES CC(C)N1CCCN(CCn2ccc3ccc(Br)cc23)CC1
Show InChI InChI=1S/C18H26BrN3/c1-15(2)21-8-3-7-20(10-12-21)11-13-22-9-6-16-4-5-17(19)14-18(16)22/h4-6,9,14-15H,3,7-8,10-13H2,1-2H3
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14n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50090516
PNG
(5-tert-Butyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C18H26N2/c1-18(2,3)14-7-8-17-16(11-14)13(12-19-17)10-15-6-5-9-20(15)4/h7-8,11-12,15,19H,5-6,9-10H2,1-4H3/t15-/m1/s1
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16n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049099
PNG
(CHEMBL50492 | [2-(5-Ethyl-1H-indol-3-yl)-ethyl]-di...)
Show SMILES CCc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2/c1-4-11-5-6-14-13(9-11)12(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3
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16n/an/an/an/an/an/an/an/a



NPS Allelix Corp.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 10: 1707-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00322-x
BindingDB Entry DOI: 10.7270/Q2GF0SRT
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116964
PNG
(6-Bromo-1-[2-(4-cyclopropyl-[1,4]diazepan-1-yl)-et...)
Show SMILES Brc1ccc2ccn(CCN3CCCN(CC3)C3CC3)c2c1
Show InChI InChI=1S/C18H24BrN3/c19-16-3-2-15-6-9-22(18(15)14-16)13-11-20-7-1-8-21(12-10-20)17-4-5-17/h2-3,6,9,14,17H,1,4-5,7-8,10-13H2
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16n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116944
PNG
(6-Bromo-1-[2-(4-cyclohexyl-[1,4]diazepan-1-yl)-eth...)
Show SMILES Brc1ccc2ccn(CCN3CCCN(CC3)C3CCCCC3)c2c1
Show InChI InChI=1S/C21H30BrN3/c22-19-8-7-18-9-12-25(21(18)17-19)16-14-23-10-4-11-24(15-13-23)20-5-2-1-3-6-20/h7-9,12,17,20H,1-6,10-11,13-16H2
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17n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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17.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]AZD9272 from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136467
PNG
(CHEMBL343712 | {2-[6-(3,6-Dihydro-2H-thiopyran-4-y...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1=CCSCC1
Show InChI InChI=1S/C17H22N2S/c1-18(2)9-10-19-8-5-15-3-4-16(13-17(15)19)14-6-11-20-12-7-14/h3-6,8,13H,7,9-12H2,1-2H3
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22n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 4409-13 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.025
BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116966
PNG
(1-[2-(4-Methyl-[1,4]diazepan-1-yl)-ethyl]-6-triflu...)
Show SMILES CN1CCCN(CCn2ccc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C17H22F3N3/c1-21-6-2-7-22(10-9-21)11-12-23-8-5-14-3-4-15(13-16(14)23)17(18,19)20/h3-5,8,13H,2,6-7,9-12H2,1H3
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23n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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28n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116958
PNG
(6-Bromo-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]-...)
Show SMILES CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1
Show InChI InChI=1S/C16H22BrN3/c1-18-6-2-7-19(10-9-18)11-12-20-8-5-14-3-4-15(17)13-16(14)20/h3-5,8,13H,2,6-7,9-12H2,1H3
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31n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
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