BDBM50340404 28-Hemisuccinylbetulin::CHEMBL1761333

SMILES CC(=C)[C@@H]1CC[C@]2(COC(=O)CCC(O)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12

InChI Key InChIKey=YKHBDAXQBMVSEH-QOMFFSOSSA-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 = 50340404   

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

Curated by ChEMBL
LigandPNGBDBM50340404(28-Hemisuccinylbetulin | CHEMBL1761333)
Affinity DataKi:  800nMAssay Description:Inhibition of Clostridium BoNT/A protease light chainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50340404(28-Hemisuccinylbetulin | CHEMBL1761333)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of Clostridium BoNT/A protease light chainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed