BDBM50429173 CHEMBL2336709

SMILES ONC(=O)CC12CC3CC(C1)CC(C3)(C2)c1ccccc1

InChI Key InChIKey=LOOCMEANYXITRW-UHFFFAOYSA-N

Data  1 KI  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 2 hits for monomerid = 50429173   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50429173(CHEMBL2336709)
Affinity DataKi:  750nMAssay Description:Competitive inhibition of Clostridium botulinum BoNT/A Hall A hyper protease light chain (1-425aa) using SNAP-66mer (141-206aa) as substrate by FRET ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50429173(CHEMBL2336709)
Affinity DataIC50:  500nMAssay Description:Inhibition of Clostridium botulinum BoNT/A Hall A hyper protease light chain (1-425aa) using SNAPtide as substrate by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed