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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 = 'BDBM50365254'   
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))
BDBM50365254
PNG
(CHEMBL1958327)
Show SMILES Cc1nn(C)c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C20H27N3O2/c1-16-19(15-20(24)22(2)21-16)17-7-9-18(10-8-17)25-14-6-13-23-11-4-3-5-12-23/h7-10,15H,3-6,11-14H2,1-2H3
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PC sid
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Article
PubMed
8.90n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)
BDBM50365254
PNG
(CHEMBL1958327)
Show SMILES Cc1nn(C)c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C20H27N3O2/c1-16-19(15-20(24)22(2)21-16)17-7-9-18(10-8-17)25-14-6-13-23-11-4-3-5-12-23/h7-10,15H,3-6,11-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat cloned 5HT3 receptor expressed in CHO cells


J Med Chem 55: 414-23 (2012)


Article DOI: 10.1021/jm201295j
BindingDB Entry DOI: 10.7270/Q2S46SFR
More data for this
Ligand-Target Pair