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PubMed code 1534585

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
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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15n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Affinity on 5-hydroxytryptamine 2 receptor labeled by [125I]DOI


J Med Chem 35: 2061-4 (1992)


Article DOI: 10.1021/jm00089a017
BindingDB Entry DOI: 10.7270/Q2PG1QN7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005090
PNG
(2-(5-Methoxy-benzofuran-3-yl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc2occ(CC(C)N)c2c1
Show InChI InChI=1S/C12H15NO2/c1-8(13)5-9-7-15-12-4-3-10(14-2)6-11(9)12/h3-4,6-8H,5,13H2,1-2H3
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27n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Affinity on 5-hydroxytryptamine 2 receptor labeled by [125I]DOI


J Med Chem 35: 2061-4 (1992)


Article DOI: 10.1021/jm00089a017
BindingDB Entry DOI: 10.7270/Q2PG1QN7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005090
PNG
(2-(5-Methoxy-benzofuran-3-yl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc2occ(CC(C)N)c2c1
Show InChI InChI=1S/C12H15NO2/c1-8(13)5-9-7-15-12-4-3-10(14-2)6-11(9)12/h3-4,6-8H,5,13H2,1-2H3
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42n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Affinity on 5-hydroxytryptamine 2 receptor labeled by [125I]DOI


J Med Chem 35: 2061-4 (1992)


Article DOI: 10.1021/jm00089a017
BindingDB Entry DOI: 10.7270/Q2PG1QN7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
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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69n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Affinity of the compound on 5-hydroxytryptamine 1A receptor labeled by [3H]-8-OH-DPAT


J Med Chem 35: 2061-4 (1992)


Article DOI: 10.1021/jm00089a017
BindingDB Entry DOI: 10.7270/Q2PG1QN7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005091
PNG
(CHEMBL62426 | [2-(5-Methoxy-benzofuran-3-yl)-ethyl...)
Show SMILES COc1ccc2occ(CCN(C)C)c2c1
Show InChI InChI=1S/C13H17NO2/c1-14(2)7-6-10-9-16-13-5-4-11(15-3)8-12(10)13/h4-5,8-9H,6-7H2,1-3H3
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95n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Affinity on 5-hydroxytryptamine 2 receptor labeled by [125I]DOI


J Med Chem 35: 2061-4 (1992)


Article DOI: 10.1021/jm00089a017
BindingDB Entry DOI: 10.7270/Q2PG1QN7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005091
PNG
(CHEMBL62426 | [2-(5-Methoxy-benzofuran-3-yl)-ethyl...)
Show SMILES COc1ccc2occ(CCN(C)C)c2c1
Show InChI InChI=1S/C13H17NO2/c1-14(2)7-6-10-9-16-13-5-4-11(15-3)8-12(10)13/h4-5,8-9H,6-7H2,1-3H3
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101n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Affinity of the compound on 5-hydroxytryptamine 1A receptor labeled by [3H]-8-OH-DPAT


J Med Chem 35: 2061-4 (1992)


Article DOI: 10.1021/jm00089a017
BindingDB Entry DOI: 10.7270/Q2PG1QN7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005090
PNG
(2-(5-Methoxy-benzofuran-3-yl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc2occ(CC(C)N)c2c1
Show InChI InChI=1S/C12H15NO2/c1-8(13)5-9-7-15-12-4-3-10(14-2)6-11(9)12/h3-4,6-8H,5,13H2,1-2H3
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445n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Affinity of the compound on 5-hydroxytryptamine 1A receptor labeled by [3H]-8-OH-DPAT


J Med Chem 35: 2061-4 (1992)


Article DOI: 10.1021/jm00089a017
BindingDB Entry DOI: 10.7270/Q2PG1QN7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50005090
PNG
(2-(5-Methoxy-benzofuran-3-yl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc2occ(CC(C)N)c2c1
Show InChI InChI=1S/C12H15NO2/c1-8(13)5-9-7-15-12-4-3-10(14-2)6-11(9)12/h3-4,6-8H,5,13H2,1-2H3
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779n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Affinity of the compound on 5-hydroxytryptamine 1A receptor labeled by [3H]-8-OH-DPAT


J Med Chem 35: 2061-4 (1992)


Article DOI: 10.1021/jm00089a017
BindingDB Entry DOI: 10.7270/Q2PG1QN7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%