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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 = 'BDBM50159175'   
Target
(Institution)
LigandTarget
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))
BDBM50159175
PNG
(2-Chloro-N-(3-(R)-1-pyrrolidin-2-ylmethyl-1H-indol...)
Show SMILES Clc1ccccc1S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
Show InChI InChI=1S/C19H20ClN3O2S/c20-17-5-1-2-6-19(17)26(24,25)23-15-7-8-18-16(11-15)13(12-22-18)10-14-4-3-9-21-14/h1-2,5-8,11-12,14,21-23H,3-4,9-10H2
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PC cid
PC sid
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Similars

AffyNet 
Article
PubMed
3n/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)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50159175
PNG
(2-Chloro-N-(3-(R)-1-pyrrolidin-2-ylmethyl-1H-indol...)
Show SMILES Clc1ccccc1S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
Show InChI InChI=1S/C19H20ClN3O2S/c20-17-5-1-2-6-19(17)26(24,25)23-15-7-8-18-16(11-15)13(12-22-18)10-14-4-3-9-21-14/h1-2,5-8,11-12,14,21-23H,3-4,9-10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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)

More data for this
Ligand-Target Pair