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SMILES: CC(NC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N)c1ccccc1

InChI Key: InChIKey=FQUHBSCFHGGWQF-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 = 50500468   
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))
BDBM50500468
PNG
(CHEMBL3745771)
Show SMILES CC(NC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c1-12-10-19(25)28-20-15(12)8-9-18-16(20)11-17(21(23)27-18)22(26)24-13(2)14-6-4-3-5-7-14/h3-11,13,23H,1-2H3,(H,24,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 247n/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))
BDBM50500468
PNG
(CHEMBL3745771)
Show SMILES CC(NC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c1-12-10-19(25)28-20-15(12)8-9-18-16(20)11-17(21(23)27-18)22(26)24-13(2)14-6-4-3-5-7-14/h3-11,13,23H,1-2H3,(H,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.58E+4n/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