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Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'regan' and Initial = 'jw'   
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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from three separate experiments using 10 i...


J Med Chem 27: 918-21 (1984)


BindingDB Entry DOI: 10.7270/Q2125VWH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231651
PNG
(CHEMBL283398)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O |c:4|
Show InChI InChI=1S/C15H17N3O/c1-18-6-4-10(5-7-18)13-9-17-14-3-2-11(15(16)19)8-12(13)14/h2-4,8-9,17H,5-7H2,1H3,(H2,16,19)
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5.30n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50225305
PNG
(CHEMBL433730)
Show SMILES Clc1cccc2CCN(CC=C)CCc12
Show InChI InChI=1S/C13H16ClN/c1-2-8-15-9-6-11-4-3-5-13(14)12(11)7-10-15/h2-5H,1,6-10H2
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6.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from three separate experiments using 10 i...


J Med Chem 27: 918-21 (1984)


BindingDB Entry DOI: 10.7270/Q2125VWH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM81498
PNG
(5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-i...)
Show SMILES COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Show InChI InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
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11n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50209178
PNG
(5-Bromo-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-y...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(Br)cc12 |c:4|
Show InChI InChI=1S/C14H15BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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11n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50158037
PNG
(1-Benzyl-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1cn(Cc2ccccc2)c2ccccc12 |c:4|
Show InChI InChI=1S/C21H22N2/c1-22-13-11-18(12-14-22)20-16-23(15-17-7-3-2-4-8-17)21-10-6-5-9-19(20)21/h2-11,16H,12-15H2,1H3
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15n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM66983
PNG
(6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazep...)
Show SMILES CN1CCc2cccc(Cl)c2CC1
Show InChI InChI=1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from three separate experiments using 10 i...


J Med Chem 27: 918-21 (1984)


BindingDB Entry DOI: 10.7270/Q2125VWH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231649
PNG
(CHEMBL281432)
Show SMILES CCCN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O |c:6|
Show InChI InChI=1S/C17H21N3O/c1-2-7-20-8-5-12(6-9-20)15-11-19-16-4-3-13(17(18)21)10-14(15)16/h3-5,10-11,19H,2,6-9H2,1H3,(H2,18,21)
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17n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231669
PNG
(CHEMBL27719)
Show SMILES COC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:11|
Show InChI InChI=1S/C16H18N2O2/c1-18-7-5-11(6-8-18)14-10-17-15-4-3-12(9-13(14)15)16(19)20-2/h3-5,9-10,17H,6-8H2,1-2H3
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19n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50231652
PNG
(CHEMBL341485)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H18N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3
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19n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231634
PNG
(CHEMBL27643)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1cccs1 |c:4|
Show InChI InChI=1S/C18H18N2S/c1-20-8-6-13(7-9-20)16-12-19-17-5-4-14(11-15(16)17)18-3-2-10-21-18/h2-6,10-12,19H,7-9H2,1H3
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19n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50209179
PNG
(3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-5-nit...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C14H15N3O2/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17(18)19)8-12(13)14/h2-4,8-9,15H,5-7H2,1H3
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21n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50209169
PNG
(5-Methoxy-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:9|
Show InChI InChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
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21n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231661
PNG
(CHEMBL287576)
Show SMILES CSc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:9|
Show InChI InChI=1S/C15H18N2S/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
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23n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231662
PNG
(CHEMBL281434)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(C)=O |c:4|
Show InChI InChI=1S/C16H18N2O/c1-11(19)13-3-4-16-14(9-13)15(10-17-16)12-5-7-18(2)8-6-12/h3-5,9-10,17H,6-8H2,1-2H3
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23n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231639
PNG
(CHEMBL26900)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccccn1 |c:4|
Show InChI InChI=1S/C19H19N3/c1-22-10-7-14(8-11-22)17-13-21-19-6-5-15(12-16(17)19)18-4-2-3-9-20-18/h2-7,9,12-13,21H,8,10-11H2,1H3
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25n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231663
PNG
(CHEMBL417470)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccsc1 |c:4|
Show InChI InChI=1S/C18H18N2S/c1-20-7-4-13(5-8-20)17-11-19-18-3-2-14(10-16(17)18)15-6-9-21-12-15/h2-4,6,9-12,19H,5,7-8H2,1H3
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25n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231643
PNG
(CHEMBL26311)
Show SMILES CCOC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:12|
Show InChI InChI=1S/C17H20N2O2/c1-3-21-17(20)13-4-5-16-14(10-13)15(11-18-16)12-6-8-19(2)9-7-12/h4-6,10-11,18H,3,7-9H2,1-2H3
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36n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231636
PNG
(CHEMBL287097)
Show SMILES CCCN1CCC(=CC1)c1c[nH]c2ccc(NC(C)=O)cc12 |c:6|
Show InChI InChI=1S/C18H23N3O/c1-3-8-21-9-6-14(7-10-21)17-12-19-18-5-4-15(11-16(17)18)20-13(2)22/h4-6,11-12,19H,3,7-10H2,1-2H3,(H,20,22)
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37n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50231640
PNG
(CHEMBL285157 | TCMDC-123457)
Show SMILES C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
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44n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50209163
PNG
(5-Fluoro-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:4|
Show InChI InChI=1S/C14H15FN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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45n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50225307
PNG
(CHEMBL170660)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C)c2CC1
Show InChI InChI=1S/C14H18ClNO/c1-3-10-17-14-5-4-13(15)11-6-8-16(2)9-7-12(11)14/h3-5H,1,6-10H2,2H3
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48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from four to five separate experiments usi...


J Med Chem 27: 918-21 (1984)


BindingDB Entry DOI: 10.7270/Q2125VWH
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50209178
PNG
(5-Bromo-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-y...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(Br)cc12 |c:4|
Show InChI InChI=1S/C14H15BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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48n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50209174
PNG
(5-Chloro-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:4|
Show InChI InChI=1S/C14H15ClN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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51n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231632
PNG
(CHEMBL284107 | TCMDC-138962)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccccc1 |c:4|
Show InChI InChI=1S/C20H20N2/c1-22-11-9-16(10-12-22)19-14-21-20-8-7-17(13-18(19)20)15-5-3-2-4-6-15/h2-9,13-14,21H,10-12H2,1H3
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55n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50209177
PNG
(3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:4|
Show InChI InChI=1S/C15H15N3/c1-18-6-4-12(5-7-18)14-10-17-15-3-2-11(9-16)8-13(14)15/h2-4,8,10,17H,5-7H2,1H3
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55n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231665
PNG
(CHEMBL26836)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(O)cc12 |c:4|
Show InChI InChI=1S/C14H16N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-4,8-9,15,17H,5-7H2,1H3
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62n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50209163
PNG
(5-Fluoro-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:4|
Show InChI InChI=1S/C14H15FN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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65n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50015718
PNG
(5-Nitro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-ind...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:10|
Show InChI InChI=1S/C13H13N3O2/c17-16(18)10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-15H,4-6H2
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65n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM31034
PNG
(3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3
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67n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231653
PNG
(CHEMBL26972)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C20H19FN2/c1-23-10-8-15(9-11-23)19-13-22-20-7-4-16(12-18(19)20)14-2-5-17(21)6-3-14/h2-8,12-13,22H,9-11H2,1H3
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69n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231659
PNG
(CHEMBL282799)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccncc1 |c:4|
Show InChI InChI=1S/C19H19N3/c1-22-10-6-15(7-11-22)18-13-21-19-3-2-16(12-17(18)19)14-4-8-20-9-5-14/h2-6,8-9,12-13,21H,7,10-11H2,1H3
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74n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231660
PNG
(CHEMBL26322)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(NC(C)=O)cc12 |c:4|
Show InChI InChI=1S/C16H19N3O/c1-11(20)18-13-3-4-16-14(9-13)15(10-17-16)12-5-7-19(2)8-6-12/h3-5,9-10,17H,6-8H2,1-2H3,(H,18,20)
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78n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231700
PNG
(CHEMBL27998)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(OC(C)=O)cc12 |c:4|
Show InChI InChI=1S/C16H18N2O2/c1-11(19)20-13-3-4-16-14(9-13)15(10-17-16)12-5-7-18(2)8-6-12/h3-5,9-10,17H,6-8H2,1-2H3
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81n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50209179
PNG
(3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-5-nit...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C14H15N3O2/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17(18)19)8-12(13)14/h2-4,8-9,15H,5-7H2,1H3
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86n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231701
PNG
(CHEMBL340175)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C1OCCO1 |c:4|
Show InChI InChI=1S/C17H20N2O2/c1-19-6-4-12(5-7-19)15-11-18-16-3-2-13(10-14(15)16)17-20-8-9-21-17/h2-4,10-11,17-18H,5-9H2,1H3
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88n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231633
PNG
(CHEMBL28105)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)[S+](C)[O-] |c:4|
Show InChI InChI=1S/C15H18N2OS/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(19(2)18)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
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105n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231656
PNG
(CHEMBL283397 | TCMDC-132113)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(OCc3ccccc3)cc12 |c:4|
Show InChI InChI=1S/C21H22N2O/c1-23-11-9-17(10-12-23)20-14-22-21-8-7-18(13-19(20)21)24-15-16-5-3-2-4-6-16/h2-9,13-14,22H,10-12,15H2,1H3
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111n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50231661
PNG
(CHEMBL287576)
Show SMILES CSc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:9|
Show InChI InChI=1S/C15H18N2S/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
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120n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231668
PNG
(CHEMBL287441)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(CO)cc12 |c:4|
Show InChI InChI=1S/C15H18N2O/c1-17-6-4-12(5-7-17)14-9-16-15-3-2-11(10-18)8-13(14)15/h2-4,8-9,16,18H,5-7,10H2,1H3
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126n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50209173
PNG
(5-Methyl-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(C)cc12 |c:4|
Show InChI InChI=1S/C15H18N2/c1-11-3-4-15-13(9-11)14(10-16-15)12-5-7-17(2)8-6-12/h3-5,9-10,16H,6-8H2,1-2H3
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126n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231648
PNG
(CHEMBL128544)
Show SMILES COc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Show InChI InChI=1S/C15H20N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-4,9-11,16H,5-8H2,1-2H3
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138n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50231650
PNG
(CHEMBL26921)
Show SMILES CCCN1CCC(=CC1)c1c[nH]c2ccccc12 |c:6|
Show InChI InChI=1S/C16H20N2/c1-2-9-18-10-7-13(8-11-18)15-12-17-16-6-4-3-5-14(15)16/h3-7,12,17H,2,8-11H2,1H3
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146n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM31034
PNG
(3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3
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146n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50209173
PNG
(5-Methyl-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(C)cc12 |c:4|
Show InChI InChI=1S/C15H18N2/c1-11-3-4-15-13(9-11)14(10-16-15)12-5-7-17(2)8-6-12/h3-5,9-10,16H,6-8H2,1-2H3
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146n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50015718
PNG
(5-Nitro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-ind...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:10|
Show InChI InChI=1S/C13H13N3O2/c17-16(18)10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-15H,4-6H2
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164n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231647
PNG
(CHEMBL128288)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)[Si](C)(C)C |c:4|
Show InChI InChI=1S/C17H24N2Si/c1-19-9-7-13(8-10-19)16-12-18-17-6-5-14(11-15(16)17)20(2,3)4/h5-7,11-12,18H,8-10H2,1-4H3
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165n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231664
PNG
(CHEMBL286264)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(C)(C)O |c:4|
Show InChI InChI=1S/C17H22N2O/c1-17(2,20)13-4-5-16-14(10-13)15(11-18-16)12-6-8-19(3)9-7-12/h4-6,10-11,18,20H,7-9H2,1-3H3
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187n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50231666
PNG
(CHEMBL287655)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C15H18N2O2S/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(9-13(14)15)20(2,18)19/h3-5,9-10,16H,6-8H2,1-2H3
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188n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50209174
PNG
(5-Chloro-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:4|
Show InChI InChI=1S/C14H15ClN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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189n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as radioligand.


J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
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