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BDBM50159190 N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-4-trifluoromethoxy-benzenesulfonamide::N-[3-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-4-trifluoromethoxy-benzenesulfonamide

SMILES: CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12

InChI Key: InChIKey=XHCMMJPZXZJLCC-UHFFFAOYSA-N

Data: 2 KI  1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50159190   
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 (5-HT6)


(Homo sapiens (Human))
BDBM50159190
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C21H22F3N3O3S/c1-27-10-2-3-16(27)11-14-13-25-20-9-4-15(12-19(14)20)26-31(28,29)18-7-5-17(6-8-18)30-21(22,23)24/h4-9,12-13,16,25-26H,2-3,10-11H2,1H3
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PC sid
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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 (5-HT6)


(Homo sapiens (Human))
BDBM50159190
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C21H22F3N3O3S/c1-27-10-2-3-16(27)11-14-13-25-20-9-4-15(12-19(14)20)26-31(28,29)18-7-5-17(6-8-18)30-21(22,23)24/h4-9,12-13,16,25-26H,2-3,10-11H2,1H3
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8n/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 (5-HT6)


(Homo sapiens (Human))
BDBM50159190
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C21H22F3N3O3S/c1-27-10-2-3-16(27)11-14-13-25-20-9-4-15(12-19(14)20)26-31(28,29)18-7-5-17(6-8-18)30-21(22,23)24/h4-9,12-13,16,25-26H,2-3,10-11H2,1H3
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n/an/an/an/a 180n/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 (5-HT6)


(Homo sapiens (Human))
BDBM50159190
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C21H22F3N3O3S/c1-27-10-2-3-16(27)11-14-13-25-20-9-4-15(12-19(14)20)26-31(28,29)18-7-5-17(6-8-18)30-21(22,23)24/h4-9,12-13,16,25-26H,2-3,10-11H2,1H3
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n/an/an/an/a 2.90n/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 (5-HT6)


(Homo sapiens (Human))
BDBM50159190
PNG
(N-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C21H22F3N3O3S/c1-27-10-2-3-16(27)11-14-13-25-20-9-4-15(12-19(14)20)26-31(28,29)18-7-5-17(6-8-18)30-21(22,23)24/h4-9,12-13,16,25-26H,2-3,10-11H2,1H3
Reactome pathway
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UniProtKB/SwissProt

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PC sid
UniChem
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n/an/a 25.8n/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