BDBM50047717 3-Cyano-benzoic acid 1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,8-dihydro-6H-cyclohepta[a]naphthalen-6-ylmethyl ester::CHEMBL52536

SMILES COc1cc2C[C@H](COC(=O)c3cccc(c3)C#N)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC

InChI Key InChIKey=UGMSUAXWRPRUDN-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50047717   

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

Curated by ChEMBL
LigandPNGBDBM50047717(3-Cyano-benzoic acid 1,2,3-trimethoxy-9-methylsulf...)
Affinity DataIC50: 3.02E+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
TargetSimilar to alpha-tubulin isoform 1(Bovine)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50047717(3-Cyano-benzoic acid 1,2,3-trimethoxy-9-methylsulf...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of tubulin polymerization with preincubation for 15 minutes at 37 degree Centigrade prior to addition of the GTP required for polymerizati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2020
Entry Details Article
PubMed