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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50301927'   
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 3A


(Homo sapiens (Human))
BDBM50301927
PNG
(CHEMBL1748 | Norcisapride)
Show SMILES COC1CNCCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)
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PC cid
PC sid
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human recombinant 5-HT3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5679-83 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.016
BindingDB Entry DOI: 10.7270/Q2057GWF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50301927
PNG
(CHEMBL1748 | Norcisapride)
Show SMILES COC1CNCCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5-HT3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 5679-83 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.016
BindingDB Entry DOI: 10.7270/Q2057GWF
More data for this
Ligand-Target Pair