BDBM23306 4-amino-7-chloroquinoline (ACQ)-based compound, 11::methyl (4R)-4-[(2S,5R,7S,9R,14R,15R,16S)-5-[2-({2-[(7-chloroquinolin-4-yl)amino]ethyl}amino)ethoxy]-9,16-bis(acetyloxy)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoate

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)CCC(=O)OC)OCCNCCNc1ccnc2cc(Cl)ccc12

InChI Key InChIKey=GUCBGTAYRRFARZ-UHFFFAOYSA-N

Data  1 Other

  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 1 hit for monomerid = 23306   

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

LigandPNGBDBM23306(methyl (4R)-4-[(2S,5R,7S,9R,14R,15R,16S)-5-[2-({2-...)
Affinity DatapH: 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 Depth
Date in BDB:
7/11/2008
Entry Details Article
PubMed