BDBM50384440 CHEMBL2035505::CHEMBL2037389

SMILES Clc1ccc2c(NCCCNC(=O)c3cc(NC(=O)c4ccc(cc4)C(=O)Nc4cc(cc(c4)C4=NCCN4)C(=O)NCCCNc4ccnc5cc(Cl)ccc45)cc(c3)C3=NCCN3)ccnc2c1

InChI Key InChIKey=GTUMZPVIBXAXSE-UHFFFAOYSA-N

Data  2 KI

  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 = 50384440   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
TBA

Curated by ChEMBL
LigandPNGBDBM50384440(CHEMBL2035505 | CHEMBL2037389)
Affinity DataKi:  572nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain assessed as inhibition of SNAP-25 (187-203) substrate hydrolysis by RP-HPLC-based assay in pre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
TBA

Curated by ChEMBL
LigandPNGBDBM50384440(CHEMBL2035505 | CHEMBL2037389)
Affinity DataKi:  572nMAssay Description:Competitive inhibition of clostridium botulinum Botulinum neurotoxin type A light chain by RP-HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed