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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 = 'BDBM50172305'   
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))
BDBM50172305
PNG
(1-(4-Iodo-benzenesulfonyl)-3-(1-methyl-pyrrolidin-...)
Show SMILES CN1CCC(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(I)cc1
Show InChI InChI=1S/C19H19IN2O2S/c1-21-11-10-14(12-21)18-13-22(19-5-3-2-4-17(18)19)25(23,24)16-8-6-15(20)7-9-16/h2-9,13-14H,10-12H2,1H3
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells


Bioorg Med Chem Lett 15: 4780-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.028
BindingDB Entry DOI: 10.7270/Q2RN37DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50172305
PNG
(1-(4-Iodo-benzenesulfonyl)-3-(1-methyl-pyrrolidin-...)
Show SMILES CN1CCC(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(I)cc1
Show InChI InChI=1S/C19H19IN2O2S/c1-21-11-10-14(12-21)18-13-22(19-5-3-2-4-17(18)19)25(23,24)16-8-6-15(20)7-9-16/h2-9,13-14H,10-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43.6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cAMP production in HeLa cells expressing human 5-HT6 receptor


Bioorg Med Chem Lett 15: 4780-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.028
BindingDB Entry DOI: 10.7270/Q2RN37DD
More data for this
Ligand-Target Pair