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BDBM50322094 3-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine::CHEMBL1173135

SMILES: O=S(=O)(c1nnn2c3ccsc3c(NCc3cccnc3)nc12)c1ccccc1

InChI Key: InChIKey=JOSRKQJPJLVRAI-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50322094   
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))
BDBM50322094
PNG
(3-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)thieno[2,...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NCc3cccnc3)nc12)c1ccccc1
Show InChI InChI=1S/C19H14N6O2S2/c26-29(27,14-6-2-1-3-7-14)19-18-22-17(21-12-13-5-4-9-20-11-13)16-15(8-10-28-16)25(18)24-23-19/h1-11H,12H2,(H,21,22)
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP production


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322094
PNG
(3-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)thieno[2,...)
Show SMILES O=S(=O)(c1nnn2c3ccsc3c(NCc3cccnc3)nc12)c1ccccc1
Show InChI InChI=1S/C19H14N6O2S2/c26-29(27,14-6-2-1-3-7-14)19-18-22-17(21-12-13-5-4-9-20-11-13)16-15(8-10-28-16)25(18)24-23-19/h1-11H,12H2,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>30n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair