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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50060250'   
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)		BDBM50060250
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-nitro-phenyl...)
Show SMILES [O-][N+](=O)c1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |TLB:12:13:17.16:19.20,(.04,-13.55,;.04,-15.09,;-1.28,-15.87,;1.38,-15.86,;1.38,-17.41,;2.71,-18.18,;4.05,-17.41,;4.05,-15.86,;2.71,-15.09,;5.37,-15.07,;6.77,-15.7,;7.8,-14.55,;7.03,-13.21,;7.64,-11.79,;7.87,-10.38,;9.13,-9,;10.93,-9.22,;10.64,-10.59,;8.81,-10.35,;8.26,-9.1,;8.68,-8,;5.52,-13.55,;4.37,-12.52,)|
Show InChI InChI=1S/C16H20N4O3/c21-16-18(13-2-1-3-14(10-13)20(22)23)8-9-19(16)15-11-17-6-4-12(15)5-7-17/h1-3,10,12,15H,4-9,11H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
 10n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex

J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair