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BDBM50158041 1-Benzenesulfonyl-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole::CHEMBL179592

SMILES: O=S(=O)(c1ccccc1)n1cc(C2=CCNCC2)c2ccccc12

InChI Key: InChIKey=GOCDLKCFBOWAOO-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50158041   
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))
BDBM50158041
PNG
(1-Benzenesulfonyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES O=S(=O)(c1ccccc1)n1cc(C2=CCNCC2)c2ccccc12 |t:13|
Show InChI InChI=1S/C19H18N2O2S/c22-24(23,16-6-2-1-3-7-16)21-14-18(15-10-12-20-13-11-15)17-8-4-5-9-19(17)21/h1-10,14,20H,11-13H2
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PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]-LSD


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158041
PNG
(1-Benzenesulfonyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES O=S(=O)(c1ccccc1)n1cc(C2=CCNCC2)c2ccccc12 |t:13|
Show InChI InChI=1S/C19H18N2O2S/c22-24(23,16-6-2-1-3-7-16)21-14-18(15-10-12-20-13-11-15)17-8-4-5-9-19(17)21/h1-10,14,20H,11-13H2
Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


Bioorg Med Chem Lett 15: 4780-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.028
BindingDB Entry DOI: 10.7270/Q2RN37DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158041
PNG
(1-Benzenesulfonyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES O=S(=O)(c1ccccc1)n1cc(C2=CCNCC2)c2ccccc12 |t:13|
Show InChI InChI=1S/C19H18N2O2S/c22-24(23,16-6-2-1-3-7-16)21-14-18(15-10-12-20-13-11-15)17-8-4-5-9-19(17)21/h1-10,14,20H,11-13H2
Reactome pathway
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-HT stimulated cAMP production in HeLa cells stably transfected with human 5-HT6 receptor


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair