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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 = 'BDBM50000464'   
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)
BDBM50000464
PNG
(CHEMBL540820)
Show SMILES Cl.O=c1n(ccc2ccccc12)[C@@H]1CN2CCC1CC2 |r,wU:12.12,(5.24,1.22,;-1.33,2.77,;-1.33,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;-4.02,1.55,;-3.98,3.16,;-5.37,3.98,;-5.91,2.55,;-4.84,1.88,;-5.42,.72,;-6.81,1.56,;-6.78,3.19,)|
Show InChI InChI=1S/C16H18N2O.ClH/c19-16-14-4-2-1-3-12(14)7-10-18(16)15-11-17-8-5-13(15)6-9-17;/h1-4,7,10,13,15H,5-6,8-9,11H2;1H/t15-;/m1./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor in rat brain cortical membranes using radioligand [3H]quipazine


J Med Chem 36: 2645-57 (1993)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2GM88T8
More data for this
Ligand-Target Pair