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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM50313122'   
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


(Homo sapiens (Human))
BDBM50313122
PNG
(3-(3-chlorophenylsulfonyl)-6-methoxy-1-(pyrrolidin...)
Show SMILES COc1ccc2c(cn(C3CCNC3)c2c1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H19ClN2O3S/c1-25-15-5-6-17-18(10-15)22(14-7-8-21-11-14)12-19(17)26(23,24)16-4-2-3-13(20)9-16/h2-6,9-10,12,14,21H,7-8,11H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 2 hrs


Bioorg Med Chem Lett 20: 1657-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.073
BindingDB Entry DOI: 10.7270/Q2ZC830C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50313122
PNG
(3-(3-chlorophenylsulfonyl)-6-methoxy-1-(pyrrolidin...)
Show SMILES COc1ccc2c(cn(C3CCNC3)c2c1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H19ClN2O3S/c1-25-15-5-6-17-18(10-15)22(14-7-8-21-11-14)12-19(17)26(23,24)16-4-2-3-13(20)9-16/h2-6,9-10,12,14,21H,7-8,11H2,1H3
PDB

Reactome pathway
KEGG

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT6 receptor expressed in human HeLa cells assessed as inhibition of 5HT-induced intracellular cAMP level after 10 min...


Bioorg Med Chem Lett 20: 1657-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.073
BindingDB Entry DOI: 10.7270/Q2ZC830C
More data for this
Ligand-Target Pair