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PubMed code 11277522

Compile data set for download or QSAR
Found 7 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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50097891
PNG
(4-Fluoro-5-methoxy-3-(2-pyrrolidin-1-yl-ethyl)-1H-...)
Show SMILES COc1ccc2[nH]cc(CCN3CCCC3)c2c1F
Show InChI InChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3
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PubMed
0.120n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards human 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT-as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
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0.230n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards human 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT-as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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PubMed
0.830n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards human 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT-as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
PDB

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PubMed
55n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards rat 5-hydroxytryptamine 2C receptor was determined using [125I]- DOI as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
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PubMed
122n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards rat 5-hydroxytryptamine 2A receptor was determined using [125I]- DOI as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50097891
PNG
(4-Fluoro-5-methoxy-3-(2-pyrrolidin-1-yl-ethyl)-1H-...)
Show SMILES COc1ccc2[nH]cc(CCN3CCCC3)c2c1F
Show InChI InChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3
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PubMed
130n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards rat 5-hydroxytryptamine 2A receptor was determined using [125I]- DOI as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50097891
PNG
(4-Fluoro-5-methoxy-3-(2-pyrrolidin-1-yl-ethyl)-1H-...)
Show SMILES COc1ccc2[nH]cc(CCN3CCCC3)c2c1F
Show InChI InChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3
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PubMed
140n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards rat 5-hydroxytryptamine 2C receptor was determined using [125I]- DOI as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%