BDBM50329679 CHEMBL1269291::sodium 4-(2-(2-(3-(2-(3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indolium-2-yl)vinyl)-2-(4-(5-(4-(2-methoxyphenyl)piperazin-1-yl)pentylcarbamoyl)phenylthio)cyclohex-2-enylidene)ethylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate chloride

SMILES COc1ccccc1N1CCN(CCCCCNC(=O)c2ccc([S+]=C3/C(=C/C=C4/N(CCCCS(=O)(=O)[O-])c5ccccc5C4(C)C)CCC/C3=C\C=C3\N(CCCCS(=O)(=O)[O-])c4ccccc4C3(C)C)cc2)CC1

InChI Key InChIKey=LNBFVLXLKQIRCB-UHFFFAOYSA-M

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50329679   

Target5-hydroxytryptamine receptor 1A(Human)
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Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50329679BDBM50329679(sodium 4-(2-(2-(3-(2-(3,3-dimethyl-1-(4-sulfonatob...)
Affinity DataKi:  65.8nMAssay Description:Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed