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SMILES: Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc3ccccc3c2)nn1

InChI Key: InChIKey=LJJFRDYJWSRAOQ-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 = 50536287   
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))
BDBM50536287
PNG
(CHEMBL4581664)
Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc3ccccc3c2)nn1
Show InChI InChI=1S/C27H29N5O2/c1-20-6-8-24(17-25(20)27(33)28-10-11-31-12-14-34-15-13-31)26-19-32(30-29-26)18-21-7-9-22-4-2-3-5-23(22)16-21/h2-9,16-17,19H,10-15,18H2,1H3,(H,28,33)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.23E+3n/an/an/an/an/an/a



University of Jinan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method


Bioorg Med Chem Lett 26: 3881-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.017
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50536287
PNG
(CHEMBL4581664)
Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc3ccccc3c2)nn1
Show InChI InChI=1S/C27H29N5O2/c1-20-6-8-24(17-25(20)27(33)28-10-11-31-12-14-34-15-13-31)26-19-32(30-29-26)18-21-7-9-22-4-2-3-5-23(22)16-21/h2-9,16-17,19H,10-15,18H2,1H3,(H,28,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.08E+4n/an/an/an/an/an/a



University of Jinan

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE preincubated for 6 mins followed by addition of S-butyrylthiocholine iodide by Ellman's method


Bioorg Med Chem Lett 26: 3881-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.017
More data for this
Ligand-Target Pair