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SMILES: Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)Nc1ccccc1[N+]([O-])=O

InChI Key: InChIKey=ONWGINPDIZHZJU-UHFFFAOYSA-N

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 2 hits for monomerid = 50500466   
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


(Electrophorus electricus (Electric eel))
BDBM50500466
PNG
(CHEMBL3747027)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)Nc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H13N3O6/c1-10-8-17(24)29-18-11(10)6-7-16-12(18)9-13(19(21)28-16)20(25)22-14-4-2-3-5-15(14)23(26)27/h2-9,21H,1H3,(H,22,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 226n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...


Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50500466
PNG
(CHEMBL3747027)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)Nc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H13N3O6/c1-10-8-17(24)29-18-11(10)6-7-16-12(18)9-13(19(21)28-16)20(25)22-14-4-2-3-5-15(14)23(26)27/h2-9,21H,1H3,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...


Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair