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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 = 'BDBM50324879'   
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))
BDBM50324879
PNG
(CHEMBL1222295 | N-Isopropyl-N-[3-(4-methyl-piperaz...)
Show SMILES CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H26N4O4S/c1-16(2)23(29(27,28)20-9-7-17(8-10-20)24(25)26)19-6-4-5-18(15-19)22-13-11-21(3)12-14-22/h4-10,15-16H,11-14H2,1-3H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 462n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair