BDBM50340405 Betulinyl 28-carboxymethoxycarvacrolate::CHEMBL1076486

SMILES CC(C)c1ccc(C)c(OCC(=O)OC[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)c1

InChI Key InChIKey=NLKTXLWBDUQNOJ-UHFFFAOYSA-N

Data  1 KI  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 2 hits for monomerid = 50340405   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50340405(Betulinyl 28-carboxymethoxycarvacrolate | CHEMBL10...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Clostridium BoNT/A protease light chainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50340405(Betulinyl 28-carboxymethoxycarvacrolate | CHEMBL10...)
Affinity DataKi:  1.33E+4nMAssay Description:Inhibition of Clostridium BoNT/A protease light chainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed