BDBM50445590 CHEMBL3103445

SMILES Clc1ccc(C(CCOCC23CC4CC(CC(Br)(C4)C2)C3)CC(=O)NOC(=O)NCc2ccccc2)c(Cl)c1

InChI Key InChIKey=ITHOQAKGIVCBGG-UHFFFAOYSA-N

Data  1 EC50

  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 = 50445590   

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

Curated by ChEMBL
LigandPNGBDBM50445590(CHEMBL3103445)
Affinity DataEC50: >1.00E+6nMAssay Description:Inhibition of Clostridium botulinum Hall A hyper BoNT/A light chain expressed in human induced pluripotent stem cell-derived neurons after 8 hrs by W...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed