BDBM50589494 CHEMBL5180930

SMILES CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)Cc2ccc(cc2)-n2[se]c3ccccc3c2=O)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(O)=O

InChI Key InChIKey=NURPYXNAWPDGIS-VPAQTAIASA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50589494   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
Guizhou Medical University

Curated by ChEMBL
LigandPNGBDBM50589494(CHEMBL5180930)
Affinity DataIC50:  2.24E+3nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain (1 to 424 residues) using SNAPtide as substrate by FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed