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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor' and Ligand = 'BDBM50062446'   
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)
BDBM50062446
PNG
(3-[3-(1-Methyl-1H-indol-3-yl)-[1,2,4]oxadiazol-5-y...)
Show SMILES Cn1cc(-c2noc(n2)C2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H20N4O/c1-21-10-15(13-4-2-3-5-16(13)21)17-19-18(23-20-17)14-11-22-8-6-12(14)7-9-22/h2-5,10,12,14H,6-9,11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Q-ICS 205-930 binding to 5-hydroxytryptamine 3 receptor recognition sites in rat brain membranes.


J Med Chem 34: 140-51 (1991)


Article DOI: 10.1021/jm00105a021
BindingDB Entry DOI: 10.7270/Q2DV1MD5
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50062446
PNG
(3-[3-(1-Methyl-1H-indol-3-yl)-[1,2,4]oxadiazol-5-y...)
Show SMILES Cn1cc(-c2noc(n2)C2CN3CCC2CC3)c2ccccc12
Show InChI InChI=1S/C18H20N4O/c1-21-10-15(13-4-2-3-5-16(13)21)17-19-18(23-20-17)14-11-22-8-6-12(14)7-9-22/h2-5,10,12,14H,6-9,11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Universit£ Louis Pasteur

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity for 5-hydroxytryptamine 3 receptor by measuring displacement [3H]GR-65630 in rat cerebral cortex.


J Med Chem 41: 311-7 (1998)


Article DOI: 10.1021/jm9705418
BindingDB Entry DOI: 10.7270/Q2N29XMV
More data for this
Ligand-Target Pair