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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50379801'   
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 2C


(Homo sapiens (Human))
BDBM50379801
PNG
(CHEMBL2011548)
Show SMILES Cc1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C12H17N/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11/h2-4,9,11,13H,5-8H2,1H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.13E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from 5HT2C receptor expressed in CHO cell membranes after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50379801
PNG
(CHEMBL2011548)
Show SMILES Cc1cccc(c1)C1CCNCC1
Show InChI InChI=1S/C12H17N/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11/h2-4,9,11,13H,5-8H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in CHO cells by fluorescence based calcium mobilization assay


Bioorg Med Chem Lett 22: 2560-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.122
BindingDB Entry DOI: 10.7270/Q2JD4XSQ
More data for this
Ligand-Target Pair