BDBM50056963 4,7,7-Trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carboxylic acid (S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl ester::4,7,7-Trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carboxylic acid 1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl ester::CHEMBL291449

SMILES COc1cc2CC[C@H](OC(=O)C34CCC(C)(C(=O)O3)C4(C)C)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC

InChI Key InChIKey=HPTLBFKIXAKACS-UHFFFAOYSA-N

Data  1 IC50

  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 = 50056963   

TargetTubulin alpha-1A chain(Pig)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50056963(4,7,7-Trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-...)
Affinity DataIC50: 1.41E+3nMAssay Description:Inhibition of tubulin polymerization interacting at the colchicine binding site.More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed