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BDBM50383544 CHEMBL2032265

SMILES: CC(C)COc1ccc(\C=C\C(=O)NO)c(Cl)c1

InChI Key: InChIKey=GCECAPWZSYZCRV-GQCTYLIASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383544   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Botulinum neurotoxin type A


(Clostridium botulinum)
BDBM50383544
PNG
(CHEMBL2032265)
Show SMILES CC(C)COc1ccc(\C=C\C(=O)NO)c(Cl)c1
Show InChI InChI=1S/C13H16ClNO3/c1-9(2)8-18-11-5-3-10(12(14)7-11)4-6-13(16)15-17/h3-7,9,17H,8H2,1-2H3,(H,15,16)/b6-4+
PDB
MMDB

NCI pathway
Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.27E+4n/an/an/an/an/an/a



Fox Chase Chemical Diversity Center

Curated by ChEMBL


Assay Description
Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis


Bioorg Med Chem Lett 22: 3754-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.019
BindingDB Entry DOI: 10.7270/Q21C1XWX
More data for this
Ligand-Target Pair