BDBM50158226 Aceticacid(R)-1-[(4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy--hydroxy-2,4a,11b-trimethyl-1-(4-methyl-pent-3-enyl)-1,2,3,4,4a,4b,5,6,9,11a,11b,12,13,13a-tetradecahydro-8-oxa-cyclohepta[a]phenanthren-6a-yl]-ethyl ester::CHEMBL368429

SMILES [#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@]12[#6]-[#8]-[#6]-[#6]=[#6]-[#6]1[C@]1([#6])[#6]-[#6]-[#6]3C([#8])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6](-[#6])=[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@]3([#6])[#6]1-[#6@H](-[#8]-[#6](-[#6])=O)-[#6@@H]2-[#8]-[#6](-[#6])=O

InChI Key InChIKey=DJJCSUPKAJVKFC-UHFFFAOYSA-N

Data  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 = 50158226   

TargetPotassium voltage-gated channel subfamily A member 3(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158226(Aceticacid(R)-1-[(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...)
Affinity DataIC50: 21nMAssay Description:Inhibition of voltage-gated potassium channel subunit Kv1.3 in chinese hamster ovary cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed