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Compile Data Set for Download or QSAR

Found 190 hits of ki for UniProtKB: P28565   
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
5-hydroxytryptamine receptor 1D


(RAT)
BDBM50280055
PNG
(50285557 | 7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-...)
Show SMILES CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21?,23?,25?,26-,27?,32+,33-/m0/s1
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PubMed
0.0600n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM50027065
PNG
((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4|
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.370n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.580n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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0.770n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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1.28n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(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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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand.


J Med Chem 30: 1-12 (1987)


BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand.


J Med Chem 30: 1-12 (1987)


BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-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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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand.


J Med Chem 30: 1-12 (1987)


BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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2.39n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(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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2.51n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1D


(RAT)
BDBM81497
PNG
(4-(4-Methyl-piperazin-1-yl)-7-trifluoromethyl-pyrr...)
Show SMILES CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
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4.89n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50007407
PNG
(1-NP | 1-Naphthalen-1-yl-piperazine | 4-Naphthalen...)
Show SMILES C1CN(CCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1 receptor was determined


J Med Chem 30: 1-12 (1987)


BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50026968
PNG
(9-Chloro-11-(1-methyl-piperidin-4-ylidene)-11H-ben...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(Cl)cc-12 |c:15|
Show InChI InChI=1S/C19H19ClN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3
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7.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex


J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50026974
PNG
(9-Bromo-11-(1-methyl-piperidin-4-ylidene)-6,11-dih...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(Br)cc-12
Show InChI InChI=1S/C19H21BrN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,9,13H,6-8,10-12H2,1H3
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7.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex


J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50026970
PNG
(9-Chloro-11-(1-methyl-piperidin-4-ylidene)-6,11-di...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(Cl)cc-12
Show InChI InChI=1S/C19H21ClN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,9,13H,6-8,10-12H2,1H3
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8.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex


J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50026964
PNG
(9-Bromo-11-(1-methyl-piperidin-4-ylidene)-11H-benz...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(Br)cc-12 |c:15|
Show InChI InChI=1S/C19H19BrN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3
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8.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex


J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
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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9.54n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM50217230
PNG
(CHEMBL95387)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cccc(Cl)c3Cl)c2c1
Show InChI InChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-13(9-11)17(18(25)20(2,3)27-15)23-19(26)12-5-4-6-14(21)16(12)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
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10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM50217225
PNG
(CHEMBL98434)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-7-8-16-15(10-12)17(18(24)20(2,3)26-16)22-19(25)13-5-4-6-14(21)9-13/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1
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10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50026971
PNG
(11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]=[#6]-c2ccc(cc-12)C#N |c:15|
Show InChI InChI=1S/C20H19N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,8-9,12-13H,6-7,10-11H2,1H3
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex


J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM50217226
PNG
(CHEMBL318906)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-7-8-16-15(10-12)17(18(24)20(2,3)26-16)22-19(25)13-5-4-6-14(21)9-13/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18-/m0/s1
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13n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM50217210
PNG
(CHEMBL38918)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
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13n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50026972
PNG
(11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccccc-12 |c:15|
Show InChI InChI=1S/C19H20N2/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21/h2-7,10-11,14H,8-9,12-13H2,1H3
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex


J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50026963
PNG
(11-(1-Methyl-piperidin-4-ylidene)-6,11-dihydro-5H-...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]-[#6]-c2ccc(cc-12)C#N
Show InChI InChI=1S/C20H21N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,9,13H,6-8,10-12H2,1H3
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex


J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM50217211
PNG
(CHEMBL318022)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3cccc(Cl)c3Cl)c2c1
Show InChI InChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-13(9-11)17(18(25)20(2,3)27-15)23-19(26)12-5-4-6-14(21)16(12)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1
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16n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM50217182
PNG
(CHEMBL318882)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccsc3Cl)c2c1
Show InChI InChI=1S/C18H18ClNO4S/c1-9(21)10-4-5-13-12(8-10)14(15(22)18(2,3)24-13)20-17(23)11-6-7-25-16(11)19/h4-8,14-15,22H,1-3H3,(H,20,23)/t14-,15+/m0/s1
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16n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50017453
PNG
(1-(2-Ethyl-phenyl)-piperazine | CHEMBL9467)
Show SMILES CCc1ccccc1N1CCNCC1
Show InChI InChI=1S/C12H18N2/c1-2-11-5-3-4-6-12(11)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
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17n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1 receptor


J Med Chem 32: 1052-6 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50001855
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1
Show InChI InChI=1S/C27H40N4O2/c1-22(2)33-26-11-8-7-10-25(26)30-18-16-29(17-19-30)20-23-13-14-24(28(23)3)21-31-15-9-5-4-6-12-27(31)32/h7-8,10-11,13-14,22H,4-6,9,12,15-21H2,1-3H3
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18n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 5-hydroxytryptamine 1 receptor by displacing [3H]5-HT radioligand in rat cerebral cortex


J Med Chem 35: 552-8 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50026973
PNG
(11-(1-Methyl-piperidin-4-ylidene)-9-trifluoromethy...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(-[#16]C(F)(F)F)cc-12
Show InChI InChI=1S/C20H21F3N2S/c1-24-10-6-15(7-11-24)19-17-13-16(26-20(21,22)23)5-4-14(17)8-12-25-9-2-3-18(19)25/h2-5,9,13H,6-8,10-12H2,1H3
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex


J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(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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18n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Italia

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)


Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50017460
PNG
(1-(2-Butoxy-phenyl)-piperazine | CHEMBL9452)
Show SMILES CCCCOc1ccccc1N1CCNCC1
Show InChI InChI=1S/C14H22N2O/c1-2-3-12-17-14-7-5-4-6-13(14)16-10-8-15-9-11-16/h4-7,15H,2-3,8-12H2,1H3
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19n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT radioligand binding against 5-hydroxytryptamine 1 receptor


J Med Chem 32: 1052-6 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50017448
PNG
(1-(2-Isopropoxy-phenyl)-piperazine | CHEMBL9669)
Show SMILES CC(C)Oc1ccccc1N1CCNCC1
Show InChI InChI=1S/C13H20N2O/c1-11(2)16-13-6-4-3-5-12(13)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3
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19n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT radioligand binding against 5-hydroxytryptamine 1 receptor


J Med Chem 32: 1052-6 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM50217231
PNG
(CHEMBL98433)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccccc3Cl)c2c1
Show InChI InChI=1S/C20H20ClNO4/c1-11(23)12-8-9-16-14(10-12)17(18(24)20(2,3)26-16)22-19(25)13-6-4-5-7-15(13)21/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18+/m0/s1
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20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand.


J Med Chem 30: 1-12 (1987)


BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50007406
PNG
(1-(3-(trifluoromethyl)phenyl)piperazine | 1-(3-Tri...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand.


J Med Chem 30: 1-12 (1987)


BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50007406
PNG
(1-(3-(trifluoromethyl)phenyl)piperazine | 1-(3-Tri...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
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20n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1 receptor


J Med Chem 32: 1052-6 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50017450
PNG
(1-(2-Isopropyl-phenyl)-piperazine | CHEMBL276156)
Show SMILES CC(C)c1ccccc1N1CCNCC1
Show InChI InChI=1S/C13H20N2/c1-11(2)12-5-3-4-6-13(12)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3
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23n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity determined in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1 receptor


J Med Chem 32: 1052-6 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50026967
PNG
(11-(1-Methyl-piperidin-4-ylidene)-9-trifluoromethy...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(-[#16]C(F)(F)F)cc-12 |c:15|
Show InChI InChI=1S/C20H19F3N2S/c1-24-10-6-15(7-11-24)19-17-13-16(26-20(21,22)23)5-4-14(17)8-12-25-9-2-3-18(19)25/h2-5,8-9,12-13H,6-7,10-11H2,1H3
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex


J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50001901
PNG
(1-(2-Chloro-phenyl)-piperazine | CHEMBL9841)
Show SMILES Clc1ccccc1N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
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24n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Binding affinity in radioreceptor binding assay by using [3H]5-HT radioligand against 5-hydroxytryptamine 1 receptor


J Med Chem 32: 1052-6 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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25n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT radioligand binding against 5-hydroxytryptamine 1 receptor


J Med Chem 32: 1052-6 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50026969
PNG
(11-(1-Methyl-piperidin-4-ylidene)-6,11-dihydro-5H-...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C19H22N2/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21/h2-7,11H,8-10,12-14H2,1H3
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of rat cortex


J Med Chem 26: 974-80 (1983)


BindingDB Entry DOI: 10.7270/Q2DR2W2B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50017458
PNG
(2-Piperazin-1-yl-benzonitrile | CHEMBL275943)
Show SMILES N#Cc1ccccc1N1CCNCC1
Show InChI InChI=1S/C11H13N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h1-4,13H,5-8H2
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26n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT radioligand binding against 5-hydroxytryptamine 1 receptor


J Med Chem 32: 1052-6 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50001874
PNG
(1-{5-[4-(2-Ethyl-phenyl)-piperazin-1-ylmethyl]-1-m...)
Show SMILES CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O/c1-3-20-8-4-5-9-23(20)27-16-14-26(15-17-27)18-21-11-12-22(25(21)2)19-28-13-7-6-10-24(28)29/h4-5,8-9,11-12H,3,6-7,10,13-19H2,1-2H3
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27n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 5-hydroxytryptamine 1 receptor by displacing [3H]5-HT radioligand in rat cerebral cortex


J Med Chem 35: 552-8 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50001862
PNG
((N-(o-methoxyphenyl)piperazine)1-(2-Methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCNCC1
Show InChI InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
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28n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 5-hydroxytryptamine 1 receptor by displacing [3H]5-HT radioligand in rat cerebral cortex


J Med Chem 35: 552-8 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50001862
PNG
((N-(o-methoxyphenyl)piperazine)1-(2-Methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCNCC1
Show InChI InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
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29n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical and Janssen Research Foundation Worldwide

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT radioligand binding against 5-hydroxytryptamine 1 receptor


J Med Chem 32: 1052-6 (1989)


BindingDB Entry DOI: 10.7270/Q2HD7TNH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50001889
PNG
(1-{5-[4-(2-sec-Butoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C26H38N4O2/c1-4-21(2)32-25-10-6-5-9-24(25)29-17-15-28(16-18-29)19-22-12-13-23(27(22)3)20-30-14-8-7-11-26(30)31/h5-6,9-10,12-13,21H,4,7-8,11,14-20H2,1-3H3
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29n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 5-hydroxytryptamine 1 receptor by displacing [3H]5-HT radioligand in rat cerebral cortex


J Med Chem 35: 552-8 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7WMW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM35256
PNG
((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)
Show SMILES [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1
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30.2n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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30.9n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317 (1994)


Article DOI: 10.1016/0028-3908(94)90059-0
BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(RAT)
BDBM50217229
PNG
(CHEMBL317732)
Show SMILES CC(=O)c1ccc2OC(C)(C)[C@H](O)[C@@H](NC(=O)c3ccc(F)cc3Cl)c2c1
Show InChI InChI=1S/C20H19ClFNO4/c1-10(24)11-4-7-16-14(8-11)17(18(25)20(2,3)27-16)23-19(26)13-6-5-12(22)9-15(13)21/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
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32n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.


Bioorg Med Chem Lett 9: 285-90 (1999)


BindingDB Entry DOI: 10.7270/Q2VD71N3
More data for this
Ligand-Target Pair
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