BDBM50013659 CHEMBL3264500

SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNCCCNc1ccnc2cc(Cl)ccc12

InChI Key InChIKey=DOXUEIRNENWAEO-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 = 50013659   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50013659(CHEMBL3264500)
Affinity DataIC50: 1.04E+3nMAssay Description:Inhibition of Clostridium botulinum recombinant BoNT/A light chain using N-terminal acetylated, C-terminal aminated SNAP-25 (187-203) as substrate by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50013659(CHEMBL3264500)
Affinity DataKi:  3.45E+3nMAssay Description:Inhibition of Clostridium botulinum recombinant BoNT/A light chain using N-terminal acetylated, C-terminal aminated SNAP-25 (187-203) as substrate by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed