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SMILES: CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc12

InChI Key: InChIKey=ZVQLQRWNPNZTMX-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50159202   
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 6


(Homo sapiens (Human))
BDBM50159202
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc12
Show InChI InChI=1S/C21H22F3N3O2S/c1-27-9-3-5-17(27)10-14-13-25-20-8-7-16(12-19(14)20)26-30(28,29)18-6-2-4-15(11-18)21(22,23)24/h2,4,6-8,11-13,17,25-26H,3,5,9-10H2,1H3
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Article
PubMed
n/an/an/an/a 3.20n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Effective agonist concentration in cAMP release assay in HeLa cells expressing human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50159202
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc12
Show InChI InChI=1S/C21H22F3N3O2S/c1-27-9-3-5-17(27)10-14-13-25-20-8-7-16(12-19(14)20)26-30(28,29)18-6-2-4-15(11-18)21(22,23)24/h2,4,6-8,11-13,17,25-26H,3,5,9-10H2,1H3
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n/an/a 14.1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of 5-HT stimulated cAMP production in HeLa cells expressing human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50159202
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc12
Show InChI InChI=1S/C21H22F3N3O2S/c1-27-9-3-5-17(27)10-14-13-25-20-8-7-16(12-19(14)20)26-30(28,29)18-6-2-4-15(11-18)21(22,23)24/h2,4,6-8,11-13,17,25-26H,3,5,9-10H2,1H3
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1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50159202
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc12
Show InChI InChI=1S/C21H22F3N3O2S/c1-27-9-3-5-17(27)10-14-13-25-20-8-7-16(12-19(14)20)26-30(28,29)18-6-2-4-15(11-18)21(22,23)24/h2,4,6-8,11-13,17,25-26H,3,5,9-10H2,1H3
PDB

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PubMed
12n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


J Med Chem 48: 353-6 (2005)


Article DOI: 10.1021/jm049243i
BindingDB Entry DOI: 10.7270/Q27W6D00
More data for this
Ligand-Target Pair