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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 = 'BDBM29526'   
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)
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
730n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity was measured on 5-hydroxytryptamine 3 receptor using [3H]-BRL 43694 as radioligand in rat posterior cortex.


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
782n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor using [3H]-BRL-43694 in rat posterior cortex


Bioorg Med Chem Lett 4: 1433-1436 (1994)


Article DOI: 10.1016/S0960-894X(01)80508-4
BindingDB Entry DOI: 10.7270/Q2G160RF
More data for this
Ligand-Target Pair