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BDBM21341 2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine::CHEMBL363275::N1-Phenylsulfonyltryptamine, 11a

SMILES: NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=GSOZASAZEKGFMK-UHFFFAOYSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21341   
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))
BDBM21341
PNG
(2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine...)
Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O2S/c17-11-10-13-12-18(16-9-5-4-8-15(13)16)21(19,20)14-6-2-1-3-7-14/h1-9,12H,10-11,17H2
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UniProtKB/SwissProt

DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10 -10.8n/an/a 73n/an/a7.422



Wyeth Research



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 5535-8 (2007)


Article DOI: 10.1021/jm070521y
BindingDB Entry DOI: 10.7270/Q23R0R5G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM21341
PNG
(2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine...)
Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O2S/c17-11-10-13-12-18(16-9-5-4-8-15(13)16)21(19,20)14-6-2-1-3-7-14/h1-9,12H,10-11,17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 6 receptor transfected in HeLa cells


Bioorg Med Chem Lett 14: 5499-502 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.003
BindingDB Entry DOI: 10.7270/Q2SB457X
More data for this
Ligand-Target Pair