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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor' and Ligand = 'BDBM50455980'   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50455980
PNG
(CHEMBL37419)
Show SMILES COc1ccccc1C(=O)NC(=O)OC1CN2CCC1CC2
Show InChI InChI=1S/C16H20N2O4.C2H2O4/c1-21-13-5-3-2-4-12(13)15(19)17-16(20)22-14-10-18-8-6-11(14)7-9-18;3-1(4)2(5)6/h2-5,11,14H,6-10H2,1H3,(H,17,19,20);(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 36n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.


J Med Chem 35: 1515-20 (1992)


Article DOI: 10.1021/jm00087a003
BindingDB Entry DOI: 10.7270/Q24B32SK
More data for this
Ligand-Target Pair