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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 = 'BDBM50532639'   
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))
BDBM50532639
PNG
(CHEMBL4447846)
Show SMILES COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc2cccnc2c1 |t:9|
Show InChI InChI=1S/C23H21N3O3S/c1-29-18-5-7-23-20(13-18)21(16-8-11-24-12-9-16)15-26(23)30(27,28)19-6-4-17-3-2-10-25-22(17)14-19/h2-8,10,13-15,24H,9,11-12H2,1H3
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PC cid
PC sid
UniChem
Article
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2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells by microbeta liquid scintillation counting


ACS Med Chem Lett 7: 618-22 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00056
BindingDB Entry DOI: 10.7270/Q2ST7T9N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50532639
PNG
(CHEMBL4447846)
Show SMILES COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc2cccnc2c1 |t:9|
Show InChI InChI=1S/C23H21N3O3S/c1-29-18-5-7-23-20(13-18)21(16-8-11-24-12-9-16)15-26(23)30(27,28)19-6-4-17-3-2-10-25-22(17)14-19/h2-8,10,13-15,24H,9,11-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells by microbeta liquid scintillation counting


ACS Med Chem Lett 7: 618-22 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00056
BindingDB Entry DOI: 10.7270/Q2ST7T9N
More data for this
Ligand-Target Pair