BindingDB logo
myBDB logout

null

SMILES: CCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N

InChI Key: InChIKey=LIOOSNFBAOLBOF-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 = 50500460   
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))
BDBM50500460
PNG
(CHEMBL3746173)
Show SMILES CCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N
Show InChI InChI=1S/C16H14N2O4/c1-3-18-16(20)11-7-10-12(21-15(11)17)5-4-9-8(2)6-13(19)22-14(9)10/h4-7,17H,3H2,1-2H3,(H,18,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 294n/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))
BDBM50500460
PNG
(CHEMBL3746173)
Show SMILES CCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N
Show InChI InChI=1S/C16H14N2O4/c1-3-18-16(20)11-7-10-12(21-15(11)17)5-4-9-8(2)6-13(19)22-14(9)10/h4-7,17H,3H2,1-2H3,(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.13E+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