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Compile Data Set for Download or QSAR

Found 141 hits of ic50 for UniProtKB: P30940   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280830
PNG
(3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1
Show InChI InChI=1S/C24H25FN4O2/c25-18-5-6-21-20(14-18)17(15-26-21)13-16-7-9-28(10-8-16)11-12-29-23(30)19-3-1-2-4-22(19)27-24(29)31/h1-6,14-16,26H,7-13H2,(H,27,31)
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280826
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4Cc5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C23H26FN3O2S/c24-20-5-6-22-21(14-20)19(15-25-22)13-17-7-9-26(10-8-17)11-12-27-16-18-3-1-2-4-23(18)30(27,28)29/h1-6,14-15,17,25H,7-13,16H2
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280822
PNG
(4-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)CSc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H26FN3OS/c25-19-5-6-21-20(14-19)18(15-26-21)13-17-7-9-27(10-8-17)11-12-28-22-3-1-2-4-23(22)30-16-24(28)29/h1-6,14-15,17,26H,7-13,16H2
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50047098
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6CCCN(c56)S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C25H29FN4O2S/c26-21-6-7-23-22(16-21)20(17-27-23)15-18-8-11-28(12-9-18)13-14-29-24-5-1-3-19-4-2-10-30(25(19)24)33(29,31)32/h1,3,5-7,16-18,27H,2,4,8-15H2
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280819
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCn4c5cccc6cccc([nH]c4=O)c56)CC3)c2c1
Show InChI InChI=1S/C27H27FN4O/c28-21-7-8-23-22(16-21)20(17-29-23)15-18-9-11-31(12-10-18)13-14-32-25-6-2-4-19-3-1-5-24(26(19)25)30-27(32)33/h1-8,16-18,29H,9-15H2,(H,30,33)
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280831
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)c5cccc6cccc(C4=O)c56)CC3)c2c1
Show InChI InChI=1S/C28H26FN3O2/c29-21-7-8-25-24(16-21)20(17-30-25)15-18-9-11-31(12-10-18)13-14-32-27(33)22-5-1-3-19-4-2-6-23(26(19)22)28(32)34/h1-8,16-18,30H,9-15H2
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280817
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Nc5ccccc5S4(=O)=O)CC3)c2c1
Show InChI InChI=1S/C23H25FN4O3S/c24-18-5-6-20-19(14-18)17(15-25-20)13-16-7-9-27(10-8-16)11-12-28-23(29)26-21-3-1-2-4-22(21)32(28,30)31/h1-6,14-16,25H,7-13H2,(H,26,29)
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016966
PNG
(1,1-Dioxo-2-[4-(4-thieno[3,2-c]pyridin-4-yl-pipera...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C22H24N4O3S2/c27-22-18-5-1-2-6-20(18)31(28,29)26(22)11-4-3-10-24-12-14-25(15-13-24)21-17-8-16-30-19(17)7-9-23-21/h1-2,5-9,16H,3-4,10-15H2
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Bristol-Myers Company

Curated by ChEMBL




J Med Chem 32: 1147-56 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280828
PNG
(3-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C26H32FN3OSi/c1-32(2)18-30(26(31)22-5-3-4-6-25(22)32)14-13-29-11-9-19(10-12-29)15-20-17-28-24-8-7-21(27)16-23(20)24/h3-8,16-17,19,28H,9-15,18H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227493
PNG
(CHEMBL288111)
Show SMILES [H][C@@]12CNc3cccc(c13)C1=C[C@@]([H])(CSc3ccccn3)CN(C)[C@]1([H])C2 |t:12|
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n/an/a 3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280824
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)Cc5ccccc45)CC3)c2c1
Show InChI InChI=1S/C24H26FN3O/c25-20-5-6-22-21(15-20)19(16-26-22)13-17-7-9-27(10-8-17)11-12-28-23-4-2-1-3-18(23)14-24(28)29/h1-6,15-17,26H,7-14H2
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016967
PNG
(3-{4-[4-(2-Methyl-thieno[3,2-c]pyridin-4-yl)-piper...)
Show SMILES Cc1cc2c(nccc2s1)N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1
Show InChI InChI=1S/C23H30N4O2S2/c1-17-16-18-19(30-17)6-9-24-20(18)26-14-12-25(13-15-26)10-4-5-11-27-21(28)23(31-22(27)29)7-2-3-8-23/h6,9,16H,2-5,7-8,10-15H2,1H3
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n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL




J Med Chem 32: 1147-56 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016956
PNG
(1-{4-[4-(2-Bromo-thieno[3,2-c]pyridin-4-yl)-pipera...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nccc3sc(Br)cc23)C(=O)C1
Show InChI InChI=1S/C22H29BrN4O2S/c1-22(2)14-19(28)27(20(29)15-22)8-4-3-7-25-9-11-26(12-10-25)21-16-13-18(23)30-17(16)5-6-24-21/h5-6,13H,3-4,7-12,14-15H2,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL




J Med Chem 32: 1147-56 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016957
PNG
(3-[4-(4-Thieno[2,3-c]pyridin-7-yl-piperazin-1-yl)-...)
Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nccc2ccsc12
Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(7-1-2-8-22)30-21(28)26(20)11-4-3-10-24-12-14-25(15-13-24)19-18-17(5-9-23-19)6-16-29-18/h5-6,9,16H,1-4,7-8,10-15H2
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Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro evaluation for arachidonic acid induced platelet aggregation of human platelet-rich plasma


J Med Chem 32: 1147-56 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280823
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES CN1c2cccc3cccc(N(CCN4CCC(Cc5c[nH]c6ccc(F)cc56)CC4)S1(=O)=O)c23
Show InChI InChI=1S/C27H29FN4O2S/c1-30-25-6-2-4-20-5-3-7-26(27(20)25)32(35(30,33)34)15-14-31-12-10-19(11-13-31)16-21-18-29-24-9-8-22(28)17-23(21)24/h2-9,17-19,29H,10-16H2,1H3
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280832
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES CC1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)C(=O)c2ccccc12
Show InChI InChI=1S/C27H32FN3O/c1-27(2)18-31(26(32)22-5-3-4-6-24(22)27)14-13-30-11-9-19(10-12-30)15-20-17-29-25-8-7-21(28)16-23(20)25/h3-8,16-17,19,29H,9-15,18H2,1-2H3
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TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016958
PNG
(1-(4-Fluoro-phenyl)-4-(4-thieno[3,2-c]pyridin-4-yl...)
Show SMILES OC(CCCN1CCN(CC1)c1nccc2sccc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3OS/c22-17-5-3-16(4-6-17)19(26)2-1-10-24-11-13-25(14-12-24)21-18-8-15-27-20(18)7-9-23-21/h3-9,15,19,26H,1-2,10-14H2
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Bristol-Myers Company

Curated by ChEMBL




J Med Chem 32: 1147-56 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280827
PNG
(1'-{2-[4-(5-fluoro-1H-3-indolylmethyl)hexahydro-1-...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4C(=O)C5(CC5)c5ccccc45)CC3)c2c1
Show InChI InChI=1S/C26H28FN3O/c27-20-5-6-23-21(16-20)19(17-28-23)15-18-7-11-29(12-8-18)13-14-30-24-4-2-1-3-22(24)26(9-10-26)25(30)31/h1-6,16-18,28H,7-15H2
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227485
PNG
(CHEMBL291097)
Show SMILES [H][C@]1(C)CN(C)[C@]2([H])Cc3c[nH]c4cccc(C2=C1)c34 |c:18|
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n/an/a 5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016963
PNG
(2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12
Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 5.30n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL


Assay Description
In vitro inhibition of arachidonic acid induced platelet aggregation in human platelet-rich plasma


J Med Chem 32: 1147-56 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280829
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES OC1=CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12 |t:1|
Show InChI InChI=1S/C24H26FN3O3S/c25-19-5-6-22-21(14-19)18(15-26-22)13-17-7-9-27(10-8-17)11-12-28-16-23(29)20-3-1-2-4-24(20)32(28,30)31/h1-6,14-17,26,29H,7-13H2
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n/an/a 5.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016960
PNG
(4,4-Dimethyl-1-[4-(4-thieno[3,2-c]pyridin-4-yl-pip...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)C1
Show InChI InChI=1S/C22H30N4O2S/c1-22(2)15-19(27)26(20(28)16-22)9-4-3-8-24-10-12-25(13-11-24)21-17-6-14-29-18(17)5-7-23-21/h5-7,14H,3-4,8-13,15-16H2,1-2H3
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n/an/a 5.70n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL




J Med Chem 32: 1147-56 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280825
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Cn1c(=O)n(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)c2ccccc2c1=O
Show InChI InChI=1S/C25H27FN4O2/c1-28-24(31)20-4-2-3-5-23(20)30(25(28)32)13-12-29-10-8-17(9-11-29)14-18-16-27-22-7-6-19(26)15-21(18)22/h2-7,15-17,27H,8-14H2,1H3
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n/an/a 5.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280815
PNG
(CHEMBL56377 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmethy...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCNS(=O)(=O)c4ccccc4)CC3)c2c1
Show InChI InChI=1S/C22H26FN3O2S/c23-19-6-7-22-21(15-19)18(16-24-22)14-17-8-11-26(12-9-17)13-10-25-29(27,28)20-4-2-1-3-5-20/h1-7,15-17,24-25H,8-14H2
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227483
PNG
(CHEMBL36379)
Show SMILES [H][C@@]12CNc3cccc(c13)C1=C[C@@]([H])(CSc3ccccc3)CN(C)[C@]1([H])C2 |t:12|
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n/an/a 8n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016964
PNG
(3-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...)
Show SMILES O=C1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12
Show InChI InChI=1S/C22H28N4O2S2/c27-20-22(7-1-2-8-22)30-21(28)26(20)11-4-3-10-24-12-14-25(15-13-24)19-17-6-16-29-18(17)5-9-23-19/h5-6,9,16H,1-4,7-8,10-15H2
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n/an/a 8.10n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL




J Med Chem 32: 1147-56 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016959
PNG
(4-Methyl-1-[4-(4-thieno[3,2-c]pyridin-4-yl-piperaz...)
Show SMILES CC1CC(=O)N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)C1
Show InChI InChI=1S/C21H28N4O2S/c1-16-14-19(26)25(20(27)15-16)8-3-2-7-23-9-11-24(12-10-23)21-17-5-13-28-18(17)4-6-22-21/h4-6,13,16H,2-3,7-12,14-15H2,1H3
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n/an/a 8.80n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL




J Med Chem 32: 1147-56 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280818
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6cccc(NS4(=O)=O)c56)CC3)c2c1
Show InChI InChI=1S/C26H27FN4O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-30(12-10-18)13-14-31-25-6-2-4-19-3-1-5-24(26(19)25)29-34(31,32)33/h1-8,16-18,28-29H,9-15H2
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50007692
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 29: 359-69 (1986)


BindingDB Entry DOI: 10.7270/Q24X58C9
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280821
PNG
(2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C25H32FN3O2SSi/c1-33(2)18-29(32(30,31)24-5-3-4-6-25(24)33)14-13-28-11-9-19(10-12-28)15-20-17-27-23-8-7-21(26)16-22(20)23/h3-8,16-17,19,27H,9-15,18H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016479
PNG
((7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]qui...)
Show SMILES CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:6|
Show InChI InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227484
PNG
(CHEMBL37867)
Show SMILES [H][C@@]12CNc3cccc(c13)C1=C[C@@]([H])(C)CN(C)[C@]1([H])C2 |t:12|
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n/an/a 17n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227486
PNG
(CHEMBL289517)
Show SMILES [H][C@@]12CNc3cccc(c13)C1=C[C@]([H])(C)CN(C)[C@]1([H])C2 |t:12|
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n/an/a 20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227496
PNG
(CHEMBL39604)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=CC(=C)CN2C)c34 |c:12|
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n/an/a 20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227497
PNG
(CHEMBL291044)
Show SMILES [H][C@@]12CNc3cccc(c13)C1=C[C@@]([H])(CSC)CN(C)[C@]1([H])C2 |t:12|
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n/an/a 20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227482
PNG
(CHEMBL285723)
Show SMILES [H][C@@]12CNc3cccc(c13)C1=C[C@@]([H])(CC#N)CN(C)[C@]1([H])C2 |t:12|
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n/an/a 20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
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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n/an/a 20n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase II


J Med Chem 35: 3045-9 (1992)


BindingDB Entry DOI: 10.7270/Q2JD4XDS
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280820
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...)
Show SMILES COc1nc2cccc3cccc(n1CCN1CCC(Cc4c[nH]c5ccc(F)cc45)CC1)c23
Show InChI InChI=1S/C28H29FN4O/c1-34-28-31-25-6-2-4-20-5-3-7-26(27(20)25)33(28)15-14-32-12-10-19(11-13-32)16-21-18-30-24-9-8-22(29)17-23(21)24/h2-9,17-19,30H,10-16H2,1H3
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016973
PNG
(3-{4-[4-(2-Bromo-thieno[3,2-c]pyridin-4-yl)-pipera...)
Show SMILES Brc1cc2c(nccc2s1)N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1
Show InChI InChI=1S/C22H27BrN4O2S2/c23-18-15-16-17(30-18)5-8-24-19(16)26-13-11-25(12-14-26)9-3-4-10-27-20(28)22(31-21(27)29)6-1-2-7-22/h5,8,15H,1-4,6-7,9-14H2
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL




J Med Chem 32: 1147-56 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227490
PNG
(CHEMBL288480)
Show SMILES [H][C@@]12CNc3cccc(c13)C1=C[C@@]([H])(CO)CN(C)[C@]1([H])C2 |t:12|
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n/an/a 26n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50280816
PNG
(CHEMBL293729 | N-{2-[4-(5-Fluoro-1H-indol-3-ylmeth...)
Show SMILES CN(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H28FN3O2S/c1-26(30(28,29)21-5-3-2-4-6-21)13-14-27-11-9-18(10-12-27)15-19-17-25-23-8-7-20(24)16-22(19)23/h2-8,16-18,25H,9-15H2,1H3
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 1913-1918 (1993)


Article DOI: 10.1016/S0960-894X(01)80986-0
BindingDB Entry DOI: 10.7270/Q27944M4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016961
PNG
(4-[4-(4-Furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1COCC(=O)N1CCCCN1CCN(CC1)c1nccc2occc12
Show InChI InChI=1S/C19H24N4O4/c24-17-13-26-14-18(25)23(17)7-2-1-6-21-8-10-22(11-9-21)19-15-4-12-27-16(15)3-5-20-19/h3-5,12H,1-2,6-11,13-14H2
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL




J Med Chem 32: 1147-56 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227629
PNG
(CHEMBL433084)
Show SMILES CCCN(CCC)C1Cc2c[nH]c3ccc(OC)c(C1)c23
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n/an/a 36n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1746-53 (1988)


BindingDB Entry DOI: 10.7270/Q2N58PJQ
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227520
PNG
(CHEMBL285284)
Show SMILES [H][C@@]12CNc3cccc(c13)C1=C[C@]([H])(CN(C)[C@]1([H])C2)C(=O)OC |t:12|
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n/an/a 40n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50016970
PNG
(4-Piperazin-1-yl-thieno[3,2-c]pyridine; hydrochlor...)
Show SMILES C1CN(CCN1)c1nccc2sccc12
Show InChI InChI=1S/C11H13N3S/c1-3-13-11(9-2-8-15-10(1)9)14-6-4-12-5-7-14/h1-3,8,12H,4-7H2
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n/an/a 71n/an/an/an/an/an/a



Bristol-Myers Company

Curated by ChEMBL




J Med Chem 32: 1147-56 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7W8D
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227492
PNG
(CHEMBL36980)
Show SMILES [H][C@@]12CNc3cccc(c13)C1=CC(=C)CN(C)[C@]1([H])C2 |t:12|
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n/an/a 80n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227489
PNG
(CHEMBL40047)
Show SMILES [H][C@@]1(C)CN(C)[C@]2([H])Cc3c[nH]c4cccc(C2=C1)c34 |c:18|
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n/an/a 80n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1512-9 (1988)


BindingDB Entry DOI: 10.7270/Q2571F61
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227633
PNG
(CHEMBL296753)
Show SMILES CCCN(CCC)C1Cc2c[nH]c3ccc(C(N)=O)c(C1)c23
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n/an/a 83n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1746-53 (1988)


BindingDB Entry DOI: 10.7270/Q2N58PJQ
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50227634
PNG
(CHEMBL48617)
Show SMILES CCCN(CCC)C1Cc2c[nH]c3ccc(C#N)c(C1)c23
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n/an/a 90n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL




J Med Chem 31: 1746-53 (1988)


BindingDB Entry DOI: 10.7270/Q2N58PJQ
More data for this
Ligand-Target Pair
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