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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'kinneau' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049091
PNG
(2-(5-Heptyloxy-1H-indol-3-yl)-ethylamine | CHEMBL3...)
Show SMILES CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C17H26N2O/c1-2-3-4-5-6-11-20-15-7-8-17-16(12-15)14(9-10-18)13-19-17/h7-8,12-13,19H,2-6,9-11,18H2,1H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049082
PNG
(2-(5-Octyloxy-1H-indol-3-yl)-ethylamine | CHEMBL32...)
Show SMILES CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049093
PNG
(CHEMBL321190 | Nonanoic acid 3-(2-dimethylamino-et...)
Show SMILES CCCCCCCCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C21H32N2O2/c1-4-5-6-7-8-9-10-21(24)25-18-11-12-20-19(15-18)17(16-22-20)13-14-23(2)3/h11-12,15-16,22H,4-10,13-14H2,1-3H3
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50049085
PNG
(1-[3-(2-Amino-ethyl)-1H-indol-5-yl]-ethanone | Ace...)
Show SMILES CC(=O)c1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C12H14N2O/c1-8(15)9-2-3-12-11(6-9)10(4-5-13)7-14-12/h2-3,6-7,14H,4-5,13H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049077
PNG
(2-(5-Pentyloxy-1H-indol-3-yl)-ethylamine | CHEMBL1...)
Show SMILES CCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C15H22N2O/c1-2-3-4-9-18-13-5-6-15-14(10-13)12(7-8-16)11-17-15/h5-6,10-11,17H,2-4,7-9,16H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049082
PNG
(2-(5-Octyloxy-1H-indol-3-yl)-ethylamine | CHEMBL32...)
Show SMILES CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049077
PNG
(2-(5-Pentyloxy-1H-indol-3-yl)-ethylamine | CHEMBL1...)
Show SMILES CCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C15H22N2O/c1-2-3-4-9-18-13-5-6-15-14(10-13)12(7-8-16)11-17-15/h5-6,10-11,17H,2-4,7-9,16H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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1.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049081
PNG
(2-[5-(8,8-Dimethyl-nonyloxy)-1H-indol-3-yl]-ethyla...)
Show SMILES CC(C)(C)CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C21H34N2O/c1-21(2,3)12-7-5-4-6-8-14-24-18-9-10-20-19(15-18)17(11-13-22)16-23-20/h9-10,15-16,23H,4-8,11-14,22H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049084
PNG
(2-[5-(7,7-Dimethyl-octyloxy)-1H-indol-3-yl]-ethyla...)
Show SMILES CC(C)(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C20H32N2O/c1-20(2,3)11-6-4-5-7-13-23-17-8-9-19-18(14-17)16(10-12-21)15-22-19/h8-9,14-15,22H,4-7,10-13,21H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049082
PNG
(2-(5-Octyloxy-1H-indol-3-yl)-ethylamine | CHEMBL32...)
Show SMILES CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
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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3.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
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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3.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


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



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards cloned human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-8-OH-DPAT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
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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4.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1D receptor was determined in calf striatum homogenate


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049089
PNG
(2-(5-Propoxy-1H-indol-3-yl)-ethylamine | CHEMBL109...)
Show SMILES CCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C13H18N2O/c1-2-7-16-11-3-4-13-12(8-11)10(5-6-14)9-15-13/h3-4,8-9,15H,2,5-7,14H2,1H3
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4.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049091
PNG
(2-(5-Heptyloxy-1H-indol-3-yl)-ethylamine | CHEMBL3...)
Show SMILES CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C17H26N2O/c1-2-3-4-5-6-11-20-15-7-8-17-16(12-15)14(9-10-18)13-19-17/h7-8,12-13,19H,2-6,9-11,18H2,1H3
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4.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
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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5.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Selectivity of the compound towards 5-hydroxytryptamine 1D receptor beta to that of 5-hydroxytryptamine 1D receptor alpha


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049099
PNG
(CHEMBL50492 | [2-(5-Ethyl-1H-indol-3-yl)-ethyl]-di...)
Show SMILES CCc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2/c1-4-11-5-6-14-13(9-11)12(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3
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5.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049085
PNG
(1-[3-(2-Amino-ethyl)-1H-indol-5-yl]-ethanone | Ace...)
Show SMILES CC(=O)c1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C12H14N2O/c1-8(15)9-2-3-12-11(6-9)10(4-5-13)7-14-12/h2-3,6-7,14H,4-5,13H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049086
PNG
(2-(5-Ethyl-1H-indol-3-yl)-ethylamine | CHEMBL10751...)
Show SMILES CCc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C12H16N2/c1-2-9-3-4-12-11(7-9)10(5-6-13)8-14-12/h3-4,7-8,14H,2,5-6,13H2,1H3
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7.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50049093
PNG
(CHEMBL321190 | Nonanoic acid 3-(2-dimethylamino-et...)
Show SMILES CCCCCCCCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C21H32N2O2/c1-4-5-6-7-8-9-10-21(24)25-18-11-12-20-19(15-18)17(16-22-20)13-14-23(2)3/h11-12,15-16,22H,4-10,13-14H2,1-3H3
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9.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049085
PNG
(1-[3-(2-Amino-ethyl)-1H-indol-5-yl]-ethanone | Ace...)
Show SMILES CC(=O)c1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C12H14N2O/c1-8(15)9-2-3-12-11(6-9)10(4-5-13)7-14-12/h2-3,6-7,14H,4-5,13H2,1H3
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9.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1D receptor was determined in calf striatum homogenate


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


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



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049100
PNG
(6-Amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxyl...)
Show SMILES NC1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
Show InChI InChI=1S/C13H15N3O/c14-8-2-4-12-10(6-8)9-5-7(13(15)17)1-3-11(9)16-12/h1,3,5,8,16H,2,4,6,14H2,(H2,15,17)
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10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards cloned human 5-hydroxytryptamine 1A receptor beta was determined using [3H]-8-OH-DPAT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049092
PNG
(2-[5-(7-Methyl-octyloxy)-1H-indol-3-yl]-ethylamine...)
Show SMILES CC(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C19H30N2O/c1-15(2)7-5-3-4-6-12-22-17-8-9-19-18(13-17)16(10-11-20)14-21-19/h8-9,13-15,21H,3-7,10-12,20H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


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



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049084
PNG
(2-[5-(7,7-Dimethyl-octyloxy)-1H-indol-3-yl]-ethyla...)
Show SMILES CC(C)(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C20H32N2O/c1-20(2,3)11-6-4-5-7-13-23-17-8-9-19-18(14-17)16(10-12-21)15-22-19/h8-9,14-15,22H,4-7,10-13,21H2,1-3H3
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16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049079
PNG
(CHEMBL322349 | Propionic acid 3-(2-dimethylamino-e...)
Show SMILES CCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-4-15(18)19-12-5-6-14-13(9-12)11(10-16-14)7-8-17(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3
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17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1D receptor was determined in calf striatum homogenate


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1D receptor was determined in calf striatum homogenate


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50049086
PNG
(2-(5-Ethyl-1H-indol-3-yl)-ethylamine | CHEMBL10751...)
Show SMILES CCc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C12H16N2/c1-2-9-3-4-12-11(7-9)10(5-6-13)8-14-12/h3-4,7-8,14H,2,5-6,13H2,1H3
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20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049096
PNG
(2-(5-Undecyloxy-1H-indol-3-yl)-ethylamine | CHEMBL...)
Show SMILES CCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C21H34N2O/c1-2-3-4-5-6-7-8-9-10-15-24-19-11-12-21-20(16-19)18(13-14-22)17-23-21/h11-12,16-17,23H,2-10,13-15,22H2,1H3
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21n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049075
PNG
(2-[5-(4-Cyclohexyl-butoxy)-1H-indol-3-yl]-ethylami...)
Show SMILES NCCc1c[nH]c2ccc(OCCCCC3CCCCC3)cc12
Show InChI InChI=1S/C20H30N2O/c21-12-11-17-15-22-20-10-9-18(14-19(17)20)23-13-5-4-8-16-6-2-1-3-7-16/h9-10,14-16,22H,1-8,11-13,21H2
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22n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50024210
PNG
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)
Show SMILES NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
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23n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1D receptor was determined in calf striatum homogenate


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049097
PNG
(Acetic acid 3-(2-dimethylamino-ethyl)-1H-indol-5-y...)
Show SMILES CN(C)CCc1c[nH]c2ccc(OC(C)=O)cc12
Show InChI InChI=1S/C14H18N2O2/c1-10(17)18-12-4-5-14-13(8-12)11(9-15-14)6-7-16(2)3/h4-5,8-9,15H,6-7H2,1-3H3
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31n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1D receptor was determined in calf striatum homogenate


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049087
PNG
(2-(5-Decyloxy-1H-indol-3-yl)-ethylamine | CHEMBL11...)
Show SMILES CCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C20H32N2O/c1-2-3-4-5-6-7-8-9-14-23-18-10-11-20-19(15-18)17(12-13-21)16-22-20/h10-11,15-16,22H,2-9,12-14,21H2,1H3
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35n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50024210
PNG
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)
Show SMILES NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
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36n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50049091
PNG
(2-(5-Heptyloxy-1H-indol-3-yl)-ethylamine | CHEMBL3...)
Show SMILES CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C17H26N2O/c1-2-3-4-5-6-11-20-15-7-8-17-16(12-15)14(9-10-18)13-19-17/h7-8,12-13,19H,2-6,9-11,18H2,1H3
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38n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049072
PNG
(CHEMBL322054 | Dimethyl-[2-(5-nonyloxy-1H-indol-3-...)
Show SMILES CCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C21H34N2O/c1-4-5-6-7-8-9-10-15-24-19-11-12-21-20(16-19)18(17-22-21)13-14-23(2)3/h11-12,16-17,22H,4-10,13-15H2,1-3H3
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40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049092
PNG
(2-[5-(7-Methyl-octyloxy)-1H-indol-3-yl]-ethylamine...)
Show SMILES CC(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C19H30N2O/c1-15(2)7-5-3-4-6-12-22-17-8-9-19-18(13-17)16(10-11-20)14-21-19/h8-9,13-15,21H,3-7,10-12,20H2,1-2H3
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42n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049072
PNG
(CHEMBL322054 | Dimethyl-[2-(5-nonyloxy-1H-indol-3-...)
Show SMILES CCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C21H34N2O/c1-4-5-6-7-8-9-10-15-24-19-11-12-21-20(16-19)18(17-22-21)13-14-23(2)3/h11-12,16-17,22H,4-10,13-15H2,1-3H3
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42n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50049077
PNG
(2-(5-Pentyloxy-1H-indol-3-yl)-ethylamine | CHEMBL1...)
Show SMILES CCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C15H22N2O/c1-2-3-4-9-18-13-5-6-15-14(10-13)12(7-8-16)11-17-15/h5-6,10-11,17H,2-4,7-9,16H2,1H3
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42n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049087
PNG
(2-(5-Decyloxy-1H-indol-3-yl)-ethylamine | CHEMBL11...)
Show SMILES CCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C20H32N2O/c1-2-3-4-5-6-7-8-9-14-23-18-10-11-20-19(15-18)17(12-13-21)16-22-20/h10-11,15-16,22H,2-9,12-14,21H2,1H3
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42n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50049082
PNG
(2-(5-Octyloxy-1H-indol-3-yl)-ethylamine | CHEMBL32...)
Show SMILES CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3
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48n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049076
PNG
(CHEMBL327103 | Isobutyric acid 3-(2-dimethylamino-...)
Show SMILES CC(C)C(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C16H22N2O2/c1-11(2)16(19)20-13-5-6-15-14(9-13)12(10-17-15)7-8-18(3)4/h5-6,9-11,17H,7-8H2,1-4H3
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52n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049090
PNG
(1-Methyl-2-(5-nonyloxy-1H-indol-3-yl)-ethylamine |...)
Show SMILES CCCCCCCCCOc1ccc2[nH]cc(CC(C)N)c2c1
Show InChI InChI=1S/C20H32N2O/c1-3-4-5-6-7-8-9-12-23-18-10-11-20-19(14-18)17(15-22-20)13-16(2)21/h10-11,14-16,22H,3-9,12-13,21H2,1-2H3
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53n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50049075
PNG
(2-[5-(4-Cyclohexyl-butoxy)-1H-indol-3-yl]-ethylami...)
Show SMILES NCCc1c[nH]c2ccc(OCCCCC3CCCCC3)cc12
Show InChI InChI=1S/C20H30N2O/c21-12-11-17-15-22-20-10-9-18(14-19(17)20)23-13-5-4-8-16-6-2-1-3-7-16/h9-10,14-16,22H,1-8,11-13,21H2
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55n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049079
PNG
(CHEMBL322349 | Propionic acid 3-(2-dimethylamino-e...)
Show SMILES CCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-4-15(18)19-12-5-6-14-13(9-12)11(10-16-14)7-8-17(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3
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59n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50024210
PNG
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)
Show SMILES NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
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61n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50049073
PNG
(2,2-Dimethyl-propionic acid 3-(2-dimethylamino-eth...)
Show SMILES CN(C)CCc1c[nH]c2ccc(OC(=O)C(C)(C)C)cc12
Show InChI InChI=1S/C17H24N2O2/c1-17(2,3)16(20)21-13-6-7-15-14(10-13)12(11-18-15)8-9-19(4)5/h6-7,10-11,18H,8-9H2,1-5H3
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63n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand


J Med Chem 39: 314-22 (1996)


Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK
More data for this
Ligand-Target Pair
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