BDBM23299 4-amino-7-chloroquinoline (ACQ)-based compound, 4::N-{3-[bis({3-[(7-chloroquinolin-4-yl)amino]propyl})amino]propyl}-7-chloroquinolin-4-amine

SMILES Clc1ccc2c(NCCCN(CCCNc3ccnc4cc(Cl)ccc34)CCCNc3ccnc4cc(Cl)ccc34)ccnc2c1

InChI Key InChIKey=NEDFTNYEDKYQCR-UHFFFAOYSA-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 = 23299   

TargetBotulinum neurotoxin type A2 [1-425](Clostridium botulinum)
National Cancer Institute At Frederick

LigandPNGBDBM23299(4-amino-7-chloroquinoline (ACQ)-based compound, 4 ...)
Affinity DataIC50:  3.20E+3nMpH: 7.3 T: 2°CAssay Description:Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed