BDBM50014558 ALOSETRON::CHEBI:253342::Lotronex::US9045501, Alosetron

SMILES Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C

InChI Key InChIKey=JSWZEAMFRNKZNL-UHFFFAOYSA-N

Data  2 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50014558   

Target5-hydroxytryptamine receptor 3A(Human)
Albany Molecular Research

US Patent
LigandPNGBDBM50014558(CHEBI:253342 | Lotronex | ALOSETRON | US9045501, A...)
Affinity DataKi:  0.5nM ΔG°:  -12.7kcal/molepH: 7.5 T: 2°CAssay Description:The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2016
Entry Details
Go to US Patent