BDBM50444748 Aminoquinuride

SMILES Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1

InChI Key InChIKey=HOUSDILKOJMENG-UHFFFAOYSA-N

Data  1 KI  4 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50444748   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM50444748(Aminoquinuride)
Affinity DataIC50:  7.20E+3nMAssay Description:Inhibition of Clostridium bolulinum BoNT/A assessed as cleavage of MOCAc-Lys-Lys-Val-Tyr-Pro-Tyr-Pro-Met-Glu-Lys(Dnp)-NH2 after 40 mins by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed