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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 = 'BDBM50078061'   
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


(Rattus norvegicus (Rat))
BDBM50078061
PNG
(CHEMBL73589 | Trifluoro-methanesulfonic acid 11-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
Show InChI InChI=1S/C19H18F3N3O3S2/c1-24-8-10-25(11-9-24)18-14-12-13(28-30(26,27)19(20,21)22)6-7-16(14)29-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT2C receptor from rat using [3H]-mesulergine as radioligand


J Med Chem 42: 2235-44 (1999)


Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7
More data for this
Ligand-Target Pair