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PubMed code 18507369

Compile data set for download or QSAR
Found 85 hits of Enzyme Inhibition Constant Data   
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 1B


(Homo sapiens (Human))		BDBM50271131
PNG
(CHEMBL374973 | N1,N13-bis(3-(1-methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C41H58N6O2/c1-46-22-18-30(19-23-46)36-28-42-38-16-14-32(26-34(36)38)44-40(48)12-10-8-6-4-3-5-7-9-11-13-41(49)45-33-15-17-39-35(27-33)37(29-43-39)31-20-24-47(2)25-21-31/h14-17,26-31,42-43H,3-13,18-25H2,1-2H3,(H,44,48)(H,45,49)
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 0.100n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50054974
PNG
(2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2
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 0.100n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50054974
PNG
(2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2
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 0.110n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271019
PNG
(4-fluoro-N-(3-{1-[7-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C47H52F2N6O2/c48-36-10-6-34(7-11-36)46(56)52-38-14-16-44-40(28-38)42(30-50-44)32-18-24-54(25-19-32)22-4-2-1-3-5-23-55-26-20-33(21-27-55)43-31-51-45-17-15-39(29-41(43)45)53-47(57)35-8-12-37(49)13-9-35/h6-17,28-33,50-51H,1-5,18-27H2,(H,52,56)(H,53,57)
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 0.300n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50070409
PNG
(2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yl...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
Show InChI InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3
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 0.400n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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 0.5n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271132
PNG
(CHEMBL502138 | N1,N14-bis(3-(1-methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C42H60N6O2/c1-47-23-19-31(20-24-47)37-29-43-39-17-15-33(27-35(37)39)45-41(49)13-11-9-7-5-3-4-6-8-10-12-14-42(50)46-34-16-18-40-36(28-34)38(30-44-40)32-21-25-48(2)26-22-32/h15-18,27-32,43-44H,3-14,19-26H2,1-2H3,(H,45,49)(H,46,50)
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 0.5n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271133
PNG
(CHEMBL500284 | N1,N15-bis(3-(1-methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C43H62N6O2/c1-48-24-20-32(21-25-48)38-30-44-40-18-16-34(28-36(38)40)46-42(50)14-12-10-8-6-4-3-5-7-9-11-13-15-43(51)47-35-17-19-41-37(29-35)39(31-45-41)33-22-26-49(2)27-23-33/h16-19,28-33,44-45H,3-15,20-27H2,1-2H3,(H,46,50)(H,47,51)
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 0.580n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271018
PNG
(4-fluoro-N-(3-{1-[6-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C46H50F2N6O2/c47-35-9-5-33(6-10-35)45(55)51-37-13-15-43-39(27-37)41(29-49-43)31-17-23-53(24-18-31)21-3-1-2-4-22-54-25-19-32(20-26-54)42-30-50-44-16-14-38(28-40(42)44)52-46(56)34-7-11-36(48)12-8-34/h5-16,27-32,49-50H,1-4,17-26H2,(H,51,55)(H,52,56)
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 0.600n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50069315
PNG
(C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-[4-(...)
Show SMILES CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12
Show InChI InChI=1S/C36H48N6O4S2/c1-39(2)17-15-31-21-37-35-13-11-29(19-33(31)35)25-47(43,44)41(5)23-27-7-9-28(10-8-27)24-42(6)48(45,46)26-30-12-14-36-34(20-30)32(22-38-36)16-18-40(3)4/h7-14,19-22,37-38H,15-18,23-26H2,1-6H3
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 0.640n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271127
PNG
(CHEMBL444404 | N1,N5-bis(3-(1-methylpiperidin-4-yl...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C33H42N6O2/c1-38-14-10-22(11-15-38)28-20-34-30-8-6-24(18-26(28)30)36-32(40)4-3-5-33(41)37-25-7-9-31-27(19-25)29(21-35-31)23-12-16-39(2)17-13-23/h6-9,18-23,34-35H,3-5,10-17H2,1-2H3,(H,36,40)(H,37,41)
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 0.760n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50070409
PNG
(2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yl...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
Show InChI InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3
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 0.760n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271129
PNG
(CHEMBL452387 | N1,N10-bis(3-(1-methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C38H52N6O2/c1-43-19-15-27(16-20-43)33-25-39-35-13-11-29(23-31(33)35)41-37(45)9-7-5-3-4-6-8-10-38(46)42-30-12-14-36-32(24-30)34(26-40-36)28-17-21-44(2)22-18-28/h11-14,23-28,39-40H,3-10,15-22H2,1-2H3,(H,41,45)(H,42,46)
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 0.790n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271134
PNG
(CHEMBL500488 | N1,N16-bis(3-(1-methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C44H64N6O2/c1-49-25-21-33(22-26-49)39-31-45-41-19-17-35(29-37(39)41)47-43(51)15-13-11-9-7-5-3-4-6-8-10-12-14-16-44(52)48-36-18-20-42-38(30-36)40(32-46-42)34-23-27-50(2)28-24-34/h17-20,29-34,45-46H,3-16,21-28H2,1-2H3,(H,47,51)(H,48,52)
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 0.810n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50069315
PNG
(C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-[4-(...)
Show SMILES CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12
Show InChI InChI=1S/C36H48N6O4S2/c1-39(2)17-15-31-21-37-35-13-11-29(19-33(31)35)25-47(43,44)41(5)23-27-7-9-28(10-8-27)24-42(6)48(45,46)26-30-12-14-36-34(20-30)32(22-38-36)16-18-40(3)4/h7-14,19-22,37-38H,15-18,23-26H2,1-6H3
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 0.890n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271130
PNG
(CHEMBL446745 | N1,N11-bis(3-(1-methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C39H54N6O2/c1-44-20-16-28(17-21-44)34-26-40-36-14-12-30(24-32(34)36)42-38(46)10-8-6-4-3-5-7-9-11-39(47)43-31-13-15-37-33(25-31)35(27-41-37)29-18-22-45(2)23-19-29/h12-15,24-29,40-41H,3-11,16-23H2,1-2H3,(H,42,46)(H,43,47)
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 0.900n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50064786
PNG
((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...)
Show SMILES CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1 |r|
Show InChI InChI=1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m0/s1
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 0.900n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271128
PNG
(CHEMBL448902 | N1,N8-bis(3-(1-methylpiperidin-4-yl...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C36H48N6O2/c1-41-17-13-25(14-18-41)31-23-37-33-11-9-27(21-29(31)33)39-35(43)7-5-3-4-6-8-36(44)40-28-10-12-34-30(22-28)32(24-38-34)26-15-19-42(2)20-16-26/h9-12,21-26,37-38H,3-8,13-20H2,1-2H3,(H,39,43)(H,40,44)
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 0.900n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271127
PNG
(CHEMBL444404 | N1,N5-bis(3-(1-methylpiperidin-4-yl...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C33H42N6O2/c1-38-14-10-22(11-15-38)28-20-34-30-8-6-24(18-26(28)30)36-32(40)4-3-5-33(41)37-25-7-9-31-27(19-25)29(21-35-31)23-12-16-39(2)17-13-23/h6-9,18-23,34-35H,3-5,10-17H2,1-2H3,(H,36,40)(H,37,41)
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 0.950n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271129
PNG
(CHEMBL452387 | N1,N10-bis(3-(1-methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C38H52N6O2/c1-43-19-15-27(16-20-43)33-25-39-35-13-11-29(23-31(33)35)41-37(45)9-7-5-3-4-6-8-10-38(46)42-30-12-14-36-32(24-30)34(26-40-36)28-17-21-44(2)22-18-28/h11-14,23-28,39-40H,3-10,15-22H2,1-2H3,(H,41,45)(H,42,46)
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 0.950n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50070409
PNG
(2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yl...)
Show SMILES CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
Show InChI InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3
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 0.960n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271020
PNG
(4-fluoro-N-(3-{1-[9-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C49H56F2N6O2/c50-38-12-8-36(9-13-38)48(58)54-40-16-18-46-42(30-40)44(32-52-46)34-20-26-56(27-21-34)24-6-4-2-1-3-5-7-25-57-28-22-35(23-29-57)45-33-53-47-19-17-41(31-43(45)47)55-49(59)37-10-14-39(51)15-11-37/h8-19,30-35,52-53H,1-7,20-29H2,(H,54,58)(H,55,59)
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 1n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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 1.10n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
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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 1.20n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271130
PNG
(CHEMBL446745 | N1,N11-bis(3-(1-methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C39H54N6O2/c1-44-20-16-28(17-21-44)34-26-40-36-14-12-30(24-32(34)36)42-38(46)10-8-6-4-3-5-7-9-11-39(47)43-31-13-15-37-33(25-31)35(27-41-37)29-18-22-45(2)23-19-29/h12-15,24-29,40-41H,3-11,16-23H2,1-2H3,(H,42,46)(H,43,47)
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 1.30n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271128
PNG
(CHEMBL448902 | N1,N8-bis(3-(1-methylpiperidin-4-yl...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C36H48N6O2/c1-41-17-13-25(14-18-41)31-23-37-33-11-9-27(21-29(31)33)39-35(43)7-5-3-4-6-8-36(44)40-28-10-12-34-30(22-28)32(24-38-34)26-15-19-42(2)20-16-26/h9-12,21-26,37-38H,3-8,13-20H2,1-2H3,(H,39,43)(H,40,44)
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 1.30n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271131
PNG
(CHEMBL374973 | N1,N13-bis(3-(1-methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C41H58N6O2/c1-46-22-18-30(19-23-46)36-28-42-38-16-14-32(26-34(36)38)44-40(48)12-10-8-6-4-3-5-7-9-11-13-41(49)45-33-15-17-39-35(27-33)37(29-43-39)31-20-24-47(2)25-21-31/h14-17,26-31,42-43H,3-13,18-25H2,1-2H3,(H,44,48)(H,45,49)
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 1.40n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271024
PNG
(4-fluoro-N-{3-[1-(2-{2-[2-(4-{5-[(4-fluorobenzene)...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C46H50F2N6O4/c47-35-5-1-33(2-6-35)45(55)51-37-9-11-43-39(27-37)41(29-49-43)31-13-17-53(18-14-31)21-23-57-25-26-58-24-22-54-19-15-32(16-20-54)42-30-50-44-12-10-38(28-40(42)44)52-46(56)34-3-7-36(48)8-4-34/h1-12,27-32,49-50H,13-26H2,(H,51,55)(H,52,56)
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 1.5n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1F


(Homo sapiens (Human))		BDBM50130461
PNG
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
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 1.60n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1F receptor

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50054974
PNG
(2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2
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 1.60n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271132
PNG
(CHEMBL502138 | N1,N14-bis(3-(1-methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C42H60N6O2/c1-47-23-19-31(20-24-47)37-29-43-39-17-15-33(27-35(37)39)45-41(49)13-11-9-7-5-3-4-6-8-10-12-14-42(50)46-34-16-18-40-36(28-34)38(30-44-40)32-21-25-48(2)26-22-32/h15-18,27-32,43-44H,3-14,19-26H2,1-2H3,(H,45,49)(H,46,50)
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 1.70n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271133
PNG
(CHEMBL500284 | N1,N15-bis(3-(1-methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C43H62N6O2/c1-48-24-20-32(21-25-48)38-30-44-40-18-16-34(28-36(38)40)46-42(50)14-12-10-8-6-4-3-5-7-9-11-13-15-43(51)47-35-17-19-41-37(29-35)39(31-45-41)33-22-26-49(2)27-23-33/h16-19,28-33,44-45H,3-15,20-27H2,1-2H3,(H,46,50)(H,47,51)
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 2.30n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271126
PNG
(CHEMBL489453 | N1,N3-bis(3-(1-methylpiperidin-4-yl...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C31H38N6O2/c1-36-11-7-20(8-12-36)26-18-32-28-5-3-22(15-24(26)28)34-30(38)17-31(39)35-23-4-6-29-25(16-23)27(19-33-29)21-9-13-37(2)14-10-21/h3-6,15-16,18-21,32-33H,7-14,17H2,1-2H3,(H,34,38)(H,35,39)
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 3.40n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271025
PNG
(4-fluoro-N-(3-{1-[2-(2-{2-[2-(4-{5-[(4-fluorobenze...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C48H54F2N6O5/c49-37-5-1-35(2-6-37)47(57)53-39-9-11-45-41(29-39)43(31-51-45)33-13-17-55(18-14-33)21-23-59-25-27-61-28-26-60-24-22-56-19-15-34(16-20-56)44-32-52-46-12-10-40(30-42(44)46)54-48(58)36-3-7-38(50)8-4-36/h1-12,29-34,51-52H,13-28H2,(H,53,57)(H,54,58)
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 3.90n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(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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 9.10n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271134
PNG
(CHEMBL500488 | N1,N16-bis(3-(1-methylpiperidin-4-y...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C44H64N6O2/c1-49-25-21-33(22-26-49)39-31-45-41-19-17-35(29-37(39)41)47-43(51)15-13-11-9-7-5-3-4-6-8-10-12-14-16-44(52)48-36-18-20-42-38(30-36)40(32-46-42)34-23-27-50(2)28-24-34/h17-20,29-34,45-46H,3-16,21-28H2,1-2H3,(H,47,51)(H,48,52)
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 11n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271022
PNG
(4-fluoro-N-(3-{1-[11-(4-{5-[(4-fluorobenzene)amido...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C51H60F2N6O2/c52-40-14-10-38(11-15-40)50(60)56-42-18-20-48-44(32-42)46(34-54-48)36-22-28-58(29-23-36)26-8-6-4-2-1-3-5-7-9-27-59-30-24-37(25-31-59)47-35-55-49-21-19-43(33-45(47)49)57-51(61)39-12-16-41(53)17-13-39/h10-21,32-37,54-55H,1-9,22-31H2,(H,56,60)(H,57,61)
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 13n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271021
PNG
(4-fluoro-N-(3-{1-[10-(4-{5-[(4-fluorobenzene)amido...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C50H58F2N6O2/c51-39-13-9-37(10-14-39)49(59)55-41-17-19-47-43(31-41)45(33-53-47)35-21-27-57(28-22-35)25-7-5-3-1-2-4-6-8-26-58-29-23-36(24-30-58)46-34-54-48-20-18-42(32-44(46)48)56-50(60)38-11-15-40(52)16-12-38/h9-20,31-36,53-54H,1-8,21-30H2,(H,55,59)(H,56,60)
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 13n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271023
PNG
(4-fluoro-N-(3-{1-[12-(4-{5-[(4-fluorobenzene)amido...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C52H62F2N6O2/c53-41-15-11-39(12-16-41)51(61)57-43-19-21-49-45(33-43)47(35-55-49)37-23-29-59(30-24-37)27-9-7-5-3-1-2-4-6-8-10-28-60-31-25-38(26-32-60)48-36-56-50-22-20-44(34-46(48)50)58-52(62)40-13-17-42(54)18-14-40/h11-22,33-38,55-56H,1-10,23-32H2,(H,57,61)(H,58,62)
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 13n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271126
PNG
(CHEMBL489453 | N1,N3-bis(3-(1-methylpiperidin-4-yl...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show InChI InChI=1S/C31H38N6O2/c1-36-11-7-20(8-12-36)26-18-32-28-5-3-22(15-24(26)28)34-30(38)17-31(39)35-23-4-6-29-25(16-23)27(19-33-29)21-9-13-37(2)14-10-21/h3-6,15-16,18-21,32-33H,7-14,17H2,1-2H3,(H,34,38)(H,35,39)
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 16n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271024
PNG
(4-fluoro-N-{3-[1-(2-{2-[2-(4-{5-[(4-fluorobenzene)...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C46H50F2N6O4/c47-35-5-1-33(2-6-35)45(55)51-37-9-11-43-39(27-37)41(29-49-43)31-13-17-53(18-14-31)21-23-57-25-26-58-24-22-54-19-15-32(16-20-54)42-30-50-44-12-10-38(28-40(42)44)52-46(56)34-3-7-36(48)8-4-34/h1-12,27-32,49-50H,13-26H2,(H,51,55)(H,52,56)
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 18n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50069315
PNG
(C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-[4-(...)
Show SMILES CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12
Show InChI InChI=1S/C36H48N6O4S2/c1-39(2)17-15-31-21-37-35-13-11-29(19-33(31)35)25-47(43,44)41(5)23-27-7-9-28(10-8-27)24-42(6)48(45,46)26-30-12-14-36-34(20-30)32(22-38-36)16-18-40(3)4/h7-14,19-22,37-38H,15-18,23-26H2,1-6H3
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 18n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271061
PNG
(4-fluoro-N-(3-{1-[(2E)-4-(4-{5-[(4-fluorobenzene)a...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(C\C=C\CN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C44H44F2N6O2/c45-33-7-3-31(4-8-33)43(53)49-35-11-13-41-37(25-35)39(27-47-41)29-15-21-51(22-16-29)19-1-2-20-52-23-17-30(18-24-52)40-28-48-42-14-12-36(26-38(40)42)50-44(54)32-5-9-34(46)10-6-32/h1-14,25-30,47-48H,15-24H2,(H,49,53)(H,50,54)/b2-1+
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 24n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271025
PNG
(4-fluoro-N-(3-{1-[2-(2-{2-[2-(4-{5-[(4-fluorobenze...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C48H54F2N6O5/c49-37-5-1-35(2-6-37)47(57)53-39-9-11-45-41(29-39)43(31-51-45)33-13-17-55(18-14-33)21-23-59-25-27-61-28-26-60-24-22-56-19-15-34(16-20-56)44-32-52-46-12-10-40(30-42(44)46)54-48(58)36-3-7-38(50)8-4-36/h1-12,29-34,51-52H,13-28H2,(H,53,57)(H,54,58)
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 32n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271021
PNG
(4-fluoro-N-(3-{1-[10-(4-{5-[(4-fluorobenzene)amido...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C50H58F2N6O2/c51-39-13-9-37(10-14-39)49(59)55-41-17-19-47-43(31-41)45(33-53-47)35-21-27-57(28-22-35)25-7-5-3-1-2-4-6-8-26-58-29-23-36(24-30-58)46-34-54-48-20-18-42(32-44(46)48)56-50(60)38-11-15-40(52)16-12-38/h9-20,31-36,53-54H,1-8,21-30H2,(H,55,59)(H,56,60)
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 38n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271135
PNG
(5-amino-3-(N-methylpiperidin-4-yl)-1H-indole | CHE...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(N)cc12
Show InChI InChI=1S/C14H19N3/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-10,16H,4-7,15H2,1H3
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 40n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271017
PNG
(4-fluoro-N-(3-{1-[3-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C43H44F2N6O2/c44-32-6-2-30(3-7-32)42(52)48-34-10-12-40-36(24-34)38(26-46-40)28-14-20-50(21-15-28)18-1-19-51-22-16-29(17-23-51)39-27-47-41-13-11-35(25-37(39)41)49-43(53)31-4-8-33(45)9-5-31/h2-13,24-29,46-47H,1,14-23H2,(H,48,52)(H,49,53)
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 79n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271019
PNG
(4-fluoro-N-(3-{1-[7-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C47H52F2N6O2/c48-36-10-6-34(7-11-36)46(56)52-38-14-16-44-40(28-38)42(30-50-44)32-18-24-54(25-19-32)22-4-2-1-3-5-23-55-26-20-33(21-27-55)43-31-51-45-17-15-39(29-41(43)45)53-47(57)35-8-12-37(49)13-9-35/h6-17,28-33,50-51H,1-5,18-27H2,(H,52,56)(H,53,57)
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 79n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50130461
PNG
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
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 83n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271018
PNG
(4-fluoro-N-(3-{1-[6-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C46H50F2N6O2/c47-35-9-5-33(6-10-35)45(55)51-37-13-15-43-39(27-37)41(29-49-43)31-17-23-53(24-18-31)21-3-1-2-4-22-54-25-19-32(20-26-54)42-30-50-44-16-14-38(28-40(42)44)52-46(56)34-7-11-36(48)12-8-34/h5-16,27-32,49-50H,1-4,17-26H2,(H,51,55)(H,52,56)
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 100n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271061
PNG
(4-fluoro-N-(3-{1-[(2E)-4-(4-{5-[(4-fluorobenzene)a...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(C\C=C\CN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C44H44F2N6O2/c45-33-7-3-31(4-8-33)43(53)49-35-11-13-41-37(25-35)39(27-47-41)29-15-21-51(22-16-29)19-1-2-20-52-23-17-30(18-24-52)40-28-48-42-14-12-36(26-38(40)42)50-44(54)32-5-9-34(46)10-6-32/h1-14,25-30,47-48H,15-24H2,(H,49,53)(H,50,54)/b2-1+
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 103n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271022
PNG
(4-fluoro-N-(3-{1-[11-(4-{5-[(4-fluorobenzene)amido...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C51H60F2N6O2/c52-40-14-10-38(11-15-40)50(60)56-42-18-20-48-44(32-42)46(34-54-48)36-22-28-58(29-23-36)26-8-6-4-2-1-3-5-7-9-27-59-30-24-37(25-31-59)47-35-55-49-21-19-43(33-45(47)49)57-51(61)39-12-16-41(53)17-13-39/h10-21,32-37,54-55H,1-9,22-31H2,(H,56,60)(H,57,61)
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 126n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271020
PNG
(4-fluoro-N-(3-{1-[9-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C49H56F2N6O2/c50-38-12-8-36(9-13-38)48(58)54-40-16-18-46-42(30-40)44(32-52-46)34-20-26-56(27-21-34)24-6-4-2-1-3-5-7-25-57-28-22-35(23-29-57)45-33-53-47-19-17-41(31-43(45)47)55-49(59)37-10-14-39(51)15-11-37/h8-19,30-35,52-53H,1-7,20-29H2,(H,54,58)(H,55,59)
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 126n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50130461
PNG
(4-Fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)
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 137n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271062
PNG
(4-fluoro-N-{3-[1-({3-[(4-{5-[(4-fluorobenzene)amid...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(Cc4cccc(CN5CCC(CC5)c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)c4)CC3)c2c1
Show InChI InChI=1S/C48H46F2N6O2/c49-37-8-4-35(5-9-37)47(57)53-39-12-14-45-41(25-39)43(27-51-45)33-16-20-55(21-17-33)29-31-2-1-3-32(24-31)30-56-22-18-34(19-23-56)44-28-52-46-15-13-40(26-42(44)46)54-48(58)36-6-10-38(50)11-7-36/h1-15,24-28,33-34,51-52H,16-23,29-30H2,(H,53,57)(H,54,58)
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 151n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271016
PNG
(4-fluoro-N-(3-{1-[2-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C42H42F2N6O2/c43-31-5-1-29(2-6-31)41(51)47-33-9-11-39-35(23-33)37(25-45-39)27-13-17-49(18-14-27)21-22-50-19-15-28(16-20-50)38-26-46-40-12-10-34(24-36(38)40)48-42(52)30-3-7-32(44)8-4-30/h1-12,23-28,45-46H,13-22H2,(H,47,51)(H,48,52)
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 219n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271135
PNG
(5-amino-3-(N-methylpiperidin-4-yl)-1H-indole | CHE...)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(N)cc12
Show InChI InChI=1S/C14H19N3/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-10,16H,4-7,15H2,1H3
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 353n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271062
PNG
(4-fluoro-N-{3-[1-({3-[(4-{5-[(4-fluorobenzene)amid...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(Cc4cccc(CN5CCC(CC5)c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)c4)CC3)c2c1
Show InChI InChI=1S/C48H46F2N6O2/c49-37-8-4-35(5-9-37)47(57)53-39-12-14-45-41(25-39)43(27-51-45)33-16-20-55(21-17-33)29-31-2-1-3-32(24-31)30-56-22-18-34(19-23-56)44-28-52-46-15-13-40(26-42(44)46)54-48(58)36-6-10-38(50)11-7-36/h1-15,24-28,33-34,51-52H,16-23,29-30H2,(H,53,57)(H,54,58)
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 453n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271064
PNG
(CHEMBL453939 | N-(3-{1-[2-carbamoyl-2-(4-{5-[(4-fl...)
Show SMILES NC(=O)C(CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12)N1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C43H43F2N7O3/c44-30-5-1-28(2-6-30)42(54)49-32-9-11-38-34(21-32)36(23-47-38)26-13-17-51(18-14-26)25-40(41(46)53)52-19-15-27(16-20-52)37-24-48-39-12-10-33(22-35(37)39)50-43(55)29-3-7-31(45)8-4-29/h1-12,21-24,26-27,40,47-48H,13-20,25H2,(H2,46,53)(H,49,54)(H,50,55)
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>1.00E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271067
PNG
(4-fluoro-N-(3-(1-(2-hydroxyethyl)piperidin-4-yl)-1...)
Show SMILES OCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C22H24FN3O2/c23-17-3-1-16(2-4-17)22(28)25-18-5-6-21-19(13-18)20(14-24-21)15-7-9-26(10-8-15)11-12-27/h1-6,13-15,24,27H,7-12H2,(H,25,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271096
PNG
(CHEMBL488951 | N-(3-(1-(3-(dimethylamino)propyl)pi...)
Show SMILES CN(C)CCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C25H31FN4O/c1-29(2)12-3-13-30-14-10-18(11-15-30)23-17-27-24-9-8-21(16-22(23)24)28-25(31)19-4-6-20(26)7-5-19/h4-9,16-18,27H,3,10-15H2,1-2H3,(H,28,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271063
PNG
(4-fluoro-N-(3-{1-[3,3,3-trifluoro-2-(4-{5-[(4-fluo...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CC(N4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)C(F)(F)F)CC3)c2c1
Show InChI InChI=1S/C43H41F5N6O2/c44-30-5-1-28(2-6-30)41(55)51-32-9-11-38-34(21-32)36(23-49-38)26-13-17-53(18-14-26)25-40(43(46,47)48)54-19-15-27(16-20-54)37-24-50-39-12-10-33(22-35(37)39)52-42(56)29-3-7-31(45)8-4-29/h1-12,21-24,26-27,40,49-50H,13-20,25H2,(H,51,55)(H,52,56)
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>1.00E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271068
PNG
(4-fluoro-N-(3-(1-(2-(piperidin-1-yl)ethyl)piperidi...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCN4CCCCC4)CC3)c2c1
Show InChI InChI=1S/C27H33FN4O/c28-22-6-4-21(5-7-22)27(33)30-23-8-9-26-24(18-23)25(19-29-26)20-10-14-32(15-11-20)17-16-31-12-2-1-3-13-31/h4-9,18-20,29H,1-3,10-17H2,(H,30,33)
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>1.00E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271097
PNG
(10-(4-(5-(4-fluorobenzamido)-1H-indol-3-yl)piperid...)
Show SMILES OC(=O)CCCCCCCCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C30H38FN3O3/c31-24-11-9-23(10-12-24)30(37)33-25-13-14-28-26(20-25)27(21-32-28)22-15-18-34(19-16-22)17-7-5-3-1-2-4-6-8-29(35)36/h9-14,20-22,32H,1-8,15-19H2,(H,33,37)(H,35,36)
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>1.00E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271064
PNG
(CHEMBL453939 | N-(3-{1-[2-carbamoyl-2-(4-{5-[(4-fl...)
Show SMILES NC(=O)C(CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12)N1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C43H43F2N7O3/c44-30-5-1-28(2-6-30)42(54)49-32-9-11-38-34(21-32)36(23-47-38)26-13-17-51(18-14-26)25-40(41(46)53)52-19-15-27(16-20-52)37-24-48-39-12-10-33(22-35(37)39)50-43(55)29-3-7-31(45)8-4-29/h1-12,21-24,26-27,40,47-48H,13-20,25H2,(H2,46,53)(H,49,54)(H,50,55)
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Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271066
PNG
(CHEMBL519492 | N-(3-(1-benzylpiperidin-4-yl)-1H-in...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C27H26FN3O/c28-22-8-6-21(7-9-22)27(32)30-23-10-11-26-24(16-23)25(17-29-26)20-12-14-31(15-13-20)18-19-4-2-1-3-5-19/h1-11,16-17,20,29H,12-15,18H2,(H,30,32)
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>1.00E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271067
PNG
(4-fluoro-N-(3-(1-(2-hydroxyethyl)piperidin-4-yl)-1...)
Show SMILES OCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C22H24FN3O2/c23-17-3-1-16(2-4-17)22(28)25-18-5-6-21-19(13-18)20(14-24-21)15-7-9-26(10-8-15)11-12-27/h1-6,13-15,24,27H,7-12H2,(H,25,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271063
PNG
(4-fluoro-N-(3-{1-[3,3,3-trifluoro-2-(4-{5-[(4-fluo...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CC(N4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)C(F)(F)F)CC3)c2c1
Show InChI InChI=1S/C43H41F5N6O2/c44-30-5-1-28(2-6-30)41(55)51-32-9-11-38-34(21-32)36(23-49-38)26-13-17-53(18-14-26)25-40(43(46,47)48)54-19-15-27(16-20-54)37-24-50-39-12-10-33(22-35(37)39)52-42(56)29-3-7-31(45)8-4-29/h1-12,21-24,26-27,40,49-50H,13-20,25H2,(H,51,55)(H,52,56)
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Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271065
PNG
(4-fluoro-N-(3-(1-octylpiperidin-4-yl)-1H-indol-5-y...)
Show SMILES CCCCCCCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C28H36FN3O/c1-2-3-4-5-6-7-16-32-17-14-21(15-18-32)26-20-30-27-13-12-24(19-25(26)27)31-28(33)22-8-10-23(29)11-9-22/h8-13,19-21,30H,2-7,14-18H2,1H3,(H,31,33)
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>1.00E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271068
PNG
(4-fluoro-N-(3-(1-(2-(piperidin-1-yl)ethyl)piperidi...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCN4CCCCC4)CC3)c2c1
Show InChI InChI=1S/C27H33FN4O/c28-22-6-4-21(5-7-22)27(33)30-23-8-9-26-24(18-23)25(19-29-26)20-10-14-32(15-11-20)17-16-31-12-2-1-3-13-31/h4-9,18-20,29H,1-3,10-17H2,(H,30,33)
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Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271066
PNG
(CHEMBL519492 | N-(3-(1-benzylpiperidin-4-yl)-1H-in...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C27H26FN3O/c28-22-8-6-21(7-9-22)27(32)30-23-10-11-26-24(16-23)25(17-29-26)20-12-14-31(15-13-20)18-19-4-2-1-3-5-19/h1-11,16-17,20,29H,12-15,18H2,(H,30,32)
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>1.00E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271065
PNG
(4-fluoro-N-(3-(1-octylpiperidin-4-yl)-1H-indol-5-y...)
Show SMILES CCCCCCCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C28H36FN3O/c1-2-3-4-5-6-7-16-32-17-14-21(15-18-32)26-20-30-27-13-12-24(19-25(26)27)31-28(33)22-8-10-23(29)11-9-22/h8-13,19-21,30H,2-7,14-18H2,1H3,(H,31,33)
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Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271097
PNG
(10-(4-(5-(4-fluorobenzamido)-1H-indol-3-yl)piperid...)
Show SMILES OC(=O)CCCCCCCCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C30H38FN3O3/c31-24-11-9-23(10-12-24)30(37)33-25-13-14-28-26(20-25)27(21-32-28)22-15-18-34(19-16-22)17-7-5-3-1-2-4-6-8-29(35)36/h9-14,20-22,32H,1-8,15-19H2,(H,33,37)(H,35,36)
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>1.00E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50271096
PNG
(CHEMBL488951 | N-(3-(1-(3-(dimethylamino)propyl)pi...)
Show SMILES CN(C)CCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show InChI InChI=1S/C25H31FN4O/c1-29(2)12-3-13-30-14-10-18(11-15-30)23-17-27-24-9-8-21(16-22(23)24)28-25(31)19-4-6-20(26)7-5-19/h4-9,16-18,27H,3,10-15H2,1-2H3,(H,28,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271023
PNG
(4-fluoro-N-(3-{1-[12-(4-{5-[(4-fluorobenzene)amido...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C52H62F2N6O2/c53-41-15-11-39(12-16-41)51(61)57-43-19-21-49-45(33-43)47(35-55-49)37-23-29-59(30-24-37)27-9-7-5-3-1-2-4-6-8-10-28-60-31-25-38(26-32-60)48-36-56-50-22-20-44(34-46(48)50)58-52(62)40-13-17-42(54)18-14-40/h11-22,33-38,55-56H,1-10,23-32H2,(H,57,61)(H,58,62)
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>1.00E+4n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271016
PNG
(4-fluoro-N-(3-{1-[2-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C42H42F2N6O2/c43-31-5-1-29(2-6-31)41(51)47-33-9-11-39-35(23-33)37(25-45-39)27-13-17-49(18-14-27)21-22-50-19-15-28(16-20-50)38-26-46-40-12-10-34(24-36(38)40)48-42(52)30-3-7-32(44)8-4-30/h1-12,23-28,45-46H,13-22H2,(H,47,51)(H,48,52)
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>1.00E+4n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50271017
PNG
(4-fluoro-N-(3-{1-[3-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C43H44F2N6O2/c44-32-6-2-30(3-7-32)42(52)48-34-10-12-40-36(24-34)38(26-46-40)28-14-20-50(21-15-28)18-1-19-51-22-16-29(17-23-51)39-27-47-41-13-11-35(25-37(39)41)49-43(53)31-4-8-33(45)9-5-31/h2-13,24-29,46-47H,1,14-23H2,(H,48,52)(H,49,53)
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>1.00E+4n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50240412
PNG
(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:29,t:10|
Show InChI InChI=1S/C37H46N6O2/c38-36(44)26-10-16-34-30(20-26)32(22-42-34)24-6-12-28(13-7-24)40-18-4-2-1-3-5-19-41-29-14-8-25(9-15-29)33-23-43-35-17-11-27(37(39)45)21-31(33)35/h6,8,10-11,16-17,20-23,28-29,40-43H,1-5,7,9,12-15,18-19H2,(H2,38,44)(H2,39,45)
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n/an/a 0.0500n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
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 0.600n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50240412
PNG
(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:29,t:10|
Show InChI InChI=1S/C37H46N6O2/c38-36(44)26-10-16-34-30(20-26)32(22-42-34)24-6-12-28(13-7-24)40-18-4-2-1-3-5-19-41-29-14-8-25(9-15-29)33-23-43-35-17-11-27(37(39)45)21-31(33)35/h6,8,10-11,16-17,20-23,28-29,40-43H,1-5,7,9,12-15,18-19H2,(H2,38,44)(H2,39,45)
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n/an/a 1.80n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))		BDBM50240412
PNG
(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:29,t:10|
Show InChI InChI=1S/C37H46N6O2/c38-36(44)26-10-16-34-30(20-26)32(22-42-34)24-6-12-28(13-7-24)40-18-4-2-1-3-5-19-41-29-14-8-25(9-15-29)33-23-43-35-17-11-27(37(39)45)21-31(33)35/h6,8,10-11,16-17,20-23,28-29,40-43H,1-5,7,9,12-15,18-19H2,(H2,38,44)(H2,39,45)
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n/an/a 99n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1E receptor

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50271019
PNG
(4-fluoro-N-(3-{1-[7-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C47H52F2N6O2/c48-36-10-6-34(7-11-36)46(56)52-38-14-16-44-40(28-38)42(30-50-44)32-18-24-54(25-19-32)22-4-2-1-3-5-23-55-26-20-33(21-27-55)43-31-51-45-17-15-39(29-41(43)45)53-47(57)35-8-12-37(49)13-9-35/h6-17,28-33,50-51H,1-5,18-27H2,(H,52,56)(H,53,57)
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n/an/a 700n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50271019
PNG
(4-fluoro-N-(3-{1-[7-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C47H52F2N6O2/c48-36-10-6-34(7-11-36)46(56)52-38-14-16-44-40(28-38)42(30-50-44)32-18-24-54(25-19-32)22-4-2-1-3-5-23-55-26-20-33(21-27-55)43-31-51-45-17-15-39(29-41(43)45)53-47(57)35-8-12-37(49)13-9-35/h6-17,28-33,50-51H,1-5,18-27H2,(H,52,56)(H,53,57)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50271019
PNG
(4-fluoro-N-(3-{1-[7-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C47H52F2N6O2/c48-36-10-6-34(7-11-36)46(56)52-38-14-16-44-40(28-38)42(30-50-44)32-18-24-54(25-19-32)22-4-2-1-3-5-23-55-26-20-33(21-27-55)43-31-51-45-17-15-39(29-41(43)45)53-47(57)35-8-12-37(49)13-9-35/h6-17,28-33,50-51H,1-5,18-27H2,(H,52,56)(H,53,57)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic beta2 receptor

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50271019
PNG
(4-fluoro-N-(3-{1-[7-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C47H52F2N6O2/c48-36-10-6-34(7-11-36)46(56)52-38-14-16-44-40(28-38)42(30-50-44)32-18-24-54(25-19-32)22-4-2-1-3-5-23-55-26-20-33(21-27-55)43-31-51-45-17-15-39(29-41(43)45)53-47(57)35-8-12-37(49)13-9-35/h6-17,28-33,50-51H,1-5,18-27H2,(H,52,56)(H,53,57)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor

J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%