BDBM23296 (2S,5R,7S,9R,14R,15R,16S)-14-[(1R)-4-({2-[(7-chloroquinolin-4-yl)amino]ethyl}amino)-1-methylbutyl]-5,9-bis(acetyloxy)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-16-yl acetate::4-amino-7-chloroquinoline (ACQ)-based compound, 1::JMC514388 Compound 6

SMILES [H][C@@]12C[C@@H](CC[C@]1(C)C1C[C@H](OC(C)=O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OC(C)=O)[C@H](C)CCCNCCNc1ccnc2cc(Cl)ccc12)OC(C)=O

InChI Key InChIKey=OIIVAUPRMHYHRI-GLYQTUQUSA-N

Data  2 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 2 hits for monomerid = 23296   

TargetBotulinum neurotoxin type A2 [1-425](Clostridium botulinum)
University of Belgrade

LigandPNGBDBM23296((2S,5R,7S,9R,14R,15R,16S)-14-[(1R)-4-({2-[(7-chlor...)
Affinity DataIC50:  1.00E+4nMpH: 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
TargetBotulinum neurotoxin type A2 [1-425](Clostridium botulinum)
University of Belgrade

LigandPNGBDBM23296((2S,5R,7S,9R,14R,15R,16S)-14-[(1R)-4-({2-[(7-chlor...)
Affinity DataIC50:  1.00E+4nMpH: 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