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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Hydroxytryptamine receptor 6 (5-HT6)' and Ligand = 'BDBM50159178'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50159178
PNG
(4-Methyl-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12
Show InChI InChI=1S/C21H25N3O2S/c1-15-5-8-19(9-6-15)27(25,26)23-17-7-10-21-20(13-17)16(14-22-21)12-18-4-3-11-24(18)2/h5-10,13-14,18,22-23H,3-4,11-12H2,1-2H3
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KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50159178
PNG
(4-Methyl-N-[3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12
Show InChI InChI=1S/C21H25N3O2S/c1-15-5-8-19(9-6-15)27(25,26)23-17-7-10-21-20(13-17)16(14-22-21)12-18-4-3-11-24(18)2/h5-10,13-14,18,22-23H,3-4,11-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30n/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