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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 = 'BDBM50303997'   
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))
BDBM50303997
PNG
(2-Benzyl-4-(4-methylpiperazin-1-yl)-1H-benzimidazo...)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(Cc3ccccc3)nc12
Show InChI InChI=1S/C19H22N4/c1-22-10-12-23(13-11-22)17-9-5-8-16-19(17)21-18(20-16)14-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,20,21)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF assay


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50303997
PNG
(2-Benzyl-4-(4-methylpiperazin-1-yl)-1H-benzimidazo...)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(Cc3ccccc3)nc12
Show InChI InChI=1S/C19H22N4/c1-22-10-12-23(13-11-22)17-9-5-8-16-19(17)21-18(20-16)14-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
66.8n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


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


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair