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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50123809'   
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/3B


(Rattus norvegicus-RAT)
BDBM50123809
PNG
(4-Amino-5-chloro-2-methoxy-N-(1-methyl-piperidin-4...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C14H20ClN3O2/c1-18-5-3-9(4-6-18)17-14(19)10-7-11(15)12(16)8-13(10)20-2/h7-9H,3-6,16H2,1-2H3,(H,17,19)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
267n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50123809
PNG
(4-Amino-5-chloro-2-methoxy-N-(1-methyl-piperidin-4...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C14H20ClN3O2/c1-18-5-3-9(4-6-18)17-14(19)10-7-11(15)12(16)8-13(10)20-2/h7-9H,3-6,16H2,1-2H3,(H,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
267n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand in rat striatum


Bioorg Med Chem Lett 5: 795-798 (1995)


Article DOI: 10.1016/0960-894X(95)00115-A
BindingDB Entry DOI: 10.7270/Q2R78FP7
More data for this
Ligand-Target Pair