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BDBM50127980 3-(3-Carboxy-acryloylamino)-benzoic acid::CHEMBL53968

SMILES: OC(=O)\C=C/C(=O)Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=UXIAYWKXDXAWJB-PLNGDYQASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50127980   
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
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50127980
PNG
(3-(3-Carboxy-acryloylamino)-benzoic acid | CHEMBL5...)
Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C11H9NO5/c13-9(4-5-10(14)15)12-8-3-1-2-7(6-8)11(16)17/h1-6H,(H,12,13)(H,14,15)(H,16,17)/b5-4-
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 357n/an/an/an/an/an/a



Instituto Politécnico Nacional

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against acetylcholinesterase (AChE) from Torpedo californica (Irreversible type of inhibition)


Bioorg Med Chem Lett 13: 1825-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00198-7
BindingDB Entry DOI: 10.7270/Q2416WF2
More data for this
Ligand-Target Pair