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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 = 'BDBM50452931'   
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)
BDBM50452931
PNG
(CHEMBL35212)
Show SMILES Cn1cc(-c2nsc(n2)C2CC3CCN2C3)c2ccccc12
Show InChI InChI=1S/C17H18N4S/c1-20-10-13(12-4-2-3-5-14(12)20)16-18-17(22-19-16)15-8-11-6-7-21(15)9-11/h2-5,10-11,15H,6-9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/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)
BDBM50452931
PNG
(CHEMBL35212)
Show SMILES Cn1cc(-c2nsc(n2)C2CC3CCN2C3)c2ccccc12
Show InChI InChI=1S/C17H18N4S/c1-20-10-13(12-4-2-3-5-14(12)20)16-18-17(22-19-16)15-8-11-6-7-21(15)9-11/h2-5,10-11,15H,6-9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/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