BindingDB logo
myBDB logout

null

SMILES: CN(CCCCCCCCN(C)c1cc2nc(nn3c4ccccc4c(c23)c1=O)-c1ccccc1)Cc1ccccc1

InChI Key: InChIKey=BTHSAKDAWXIOHX-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 1 hit for monomerid = 50392586   
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
Cholinesterase


(Equus caballus (Horse))		BDBM50392586
PNG
(CHEMBL2153036)
Show SMILES CN(CCCCCCCCN(C)c1cc2nc(nn3c4ccccc4c(c23)c1=O)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H39N5O/c1-39(26-27-17-9-7-10-18-27)23-15-5-3-4-6-16-24-40(2)32-25-30-34-33(35(32)42)29-21-13-14-22-31(29)41(34)38-36(37-30)28-19-11-8-12-20-28/h7-14,17-22,25H,3-6,15-16,23-24,26H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Universit£ degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 20 mins by Ellman's method

Eur J Med Chem 58: 84-97 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.003
BindingDB Entry DOI: 10.7270/Q2DR2WMH
More data for this
Ligand-Target Pair