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BDBM50383543 CHEMBL2032264

SMILES: ONC(=O)\C=C\c1ccc(\C=C\c2ccccc2)cc1Cl

InChI Key: InChIKey=ZAAWHTQURVRJCZ-MVQNEBOGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383543   
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)
BDBM50383543
PNG
(CHEMBL2032264)
Show SMILES ONC(=O)\C=C\c1ccc(\C=C\c2ccccc2)cc1Cl
Show InChI InChI=1S/C17H14ClNO2/c18-16-12-14(7-6-13-4-2-1-3-5-13)8-9-15(16)10-11-17(20)19-21/h1-12,21H,(H,19,20)/b7-6+,11-10+
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PC sid
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Similars

Article
PubMed
n/an/a 6.84E+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