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BDBM50060248 1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-methylsulfanyl-phenyl)-imidazolidin-2-one::CHEMBL114042

SMILES: CSc1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O

InChI Key: InChIKey=SHZHPNYJAOSQKN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50060248   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)		BDBM50060248
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-methylsulfan...)
Show SMILES CSc1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |THB:11:12:16.15:18.19,(.04,-13.57,;.04,-15.11,;1.38,-15.88,;1.38,-17.43,;2.71,-18.2,;4.05,-17.43,;4.05,-15.88,;2.71,-15.1,;5.38,-15.08,;6.78,-15.71,;7.81,-14.57,;7.04,-13.22,;7.65,-11.8,;7.87,-10.39,;9.14,-9.01,;8.69,-8.01,;8.27,-9.11,;8.82,-10.36,;10.65,-10.6,;10.94,-9.23,;5.53,-13.56,;4.37,-12.53,)|
Show InChI InChI=1S/C17H23N3OS/c1-22-15-4-2-3-14(11-15)19-9-10-20(17(19)21)16-12-18-7-5-13(16)6-8-18/h2-4,11,13,16H,5-10,12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 6n/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