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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50333551'   
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))
BDBM50333551
PNG
(2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene...)
Show SMILES CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-3-21-18-25(30)26-23(28-15-13-27(2)14-16-28)9-6-10-24(26)29(21)33(31,32)22-12-11-19-7-4-5-8-20(19)17-22/h4-12,17,21H,3,13-16,18H2,1-2H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor expressed in cells


Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair