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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 = 'BDBM50365257'   
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))
BDBM50365257
PNG
(CHEMBL1958330)
Show SMILES O=c1cc(cnn1-c1ccccn1)-c1ccc(OCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C24H28N4O2/c29-24-18-21(19-26-28(24)23-8-3-4-13-25-23)20-9-11-22(12-10-20)30-17-7-16-27-14-5-1-2-6-15-27/h3-4,8-13,18-19H,1-2,5-7,14-17H2
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Article
PubMed
5.30n/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)
BDBM50365257
PNG
(CHEMBL1958330)
Show SMILES O=c1cc(cnn1-c1ccccn1)-c1ccc(OCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C24H28N4O2/c29-24-18-21(19-26-28(24)23-8-3-4-13-25-23)20-9-11-22(12-10-20)30-17-7-16-27-14-5-1-2-6-15-27/h3-4,8-13,18-19H,1-2,5-7,14-17H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
12n/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