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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM50300828'   
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 6


(Homo sapiens (Human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor expressed in HeLa cells by scintillation counter


J Med Chem 58: 7901-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00179
BindingDB Entry DOI: 10.7270/Q2M90BGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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4.80n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HeLa cells


Bioorg Med Chem 17: 5153-63 (2009)


Article DOI: 10.1016/j.bmc.2009.05.055
BindingDB Entry DOI: 10.7270/Q25T3KJS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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4.80n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128275
BindingDB Entry DOI: 10.7270/Q2VQ36SJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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4.90n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human HT6 receptor expressed in human HeLa cells


Bioorg Med Chem Lett 19: 6935-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.067
BindingDB Entry DOI: 10.7270/Q20K28PH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
PDB

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Article
PubMed
n/an/an/an/a 7.30n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human cloned 5HT6 receptor expressed in HeLa cells assessed as induction of adenylyl cyclase activity by RIA


Bioorg Med Chem 17: 5153-63 (2009)


Article DOI: 10.1016/j.bmc.2009.05.055
BindingDB Entry DOI: 10.7270/Q25T3KJS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
PDB

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Article
PubMed
n/an/an/an/a 7.30n/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT6 receptor expressed in HeLa cells after 10 mins by scintillation proximity assay


J Med Chem 58: 7901-12 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00179
BindingDB Entry DOI: 10.7270/Q2M90BGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
PDB

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CHEMBL
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 7.30n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human HT6 receptor expressed in human HeLa cells assessed as intracellular cAMP level by radioimmunoassay


Bioorg Med Chem Lett 19: 6935-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.067
BindingDB Entry DOI: 10.7270/Q20K28PH
More data for this
Ligand-Target Pair