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BDBM50383541 CHEMBL2032262

SMILES: CS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1

InChI Key: InChIKey=VSWGLESYJOCTMY-RMKNXTFCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383541   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Botulinum neurotoxin type A


(Clostridium botulinum)
BDBM50383541
PNG
(CHEMBL2032262)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
Show InChI InChI=1S/C16H14ClNO4S/c1-23(21,22)14-7-4-11(5-8-14)13-3-2-12(15(17)10-13)6-9-16(19)18-20/h2-10,20H,1H3,(H,18,19)/b9-6+
PDB
MMDB

NCI pathway
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.54E+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