BDBM23297 4-amino-7-chloroquinoline (ACQ)-based compound, 2::JMC514388 Compound 7::methyl (4R)-4-[(2S,5S,7S,9R,14R,15R,16S)-5-({2-[(7-chloroquinolin-4-yl)amino]ethyl}amino)-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)NCCNc1ccnc2cc(Cl)ccc12

InChI Key InChIKey=KRNXBGIVMRDNEB-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 23297   

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

LigandPNGBDBM23297(JMC514388 Compound 7 | methyl (4R)-4-[(2S,5S,7S,9R...)
Affinity DataIC50: 1.70E+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 Article
PubMed
TargetBotulinum neurotoxin type A2 [1-425](Clostridium botulinum)
National Cancer Institute At Frederick

LigandPNGBDBM23297(JMC514388 Compound 7 | methyl (4R)-4-[(2S,5S,7S,9R...)
Affinity DataIC50: 1.70E+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 Article
PubMed