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BDBM23295 (2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide::4-chlorocinnamic hydroxamate, 1

SMILES: ONC(=O)\C=C\c1ccc(Cl)cc1

InChI Key: InChIKey=YPYUWBDOEMPXSK-ZZXKWVIFSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23295   
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)
BDBM23295
PNG
((2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide | ...)
Show SMILES ONC(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C9H8ClNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-3+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 1.50E+4n/an/an/an/a7.423



The Scripps Research Institute



Assay Description
Recombinant BoNT LC/A activity was measured in black 96-well microtiter plates by use of a Molecular Devices (Sunnyvale, CA) SpectraMax GeminiEM plat...


Bioorg Med Chem Lett 17: 6463-6 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)