BindingDB logo
myBDB logout

BDBM50426843 CHEMBL2323351

SMILES: COc1ccc(\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1OC

InChI Key: InChIKey=ADTIYFNFCNVIJB-HZHRSRAPSA-N

Data: 2 IC50

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 = 50426843   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50426843
PNG
(CHEMBL2323351)
Show SMILES COc1ccc(\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C22H28N4O3/c1-28-20-9-8-19(14-21(20)29-2)15-23-24-22(27)17-26-12-10-25(11-13-26)16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16-17H2,1-2H3,(H,24,27)/b23-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.11E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50426843
PNG
(CHEMBL2323351)
Show SMILES COc1ccc(\C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C22H28N4O3/c1-28-20-9-8-19(14-21(20)29-2)15-23-24-22(27)17-26-12-10-25(11-13-26)16-18-6-4-3-5-7-18/h3-9,14-15H,10-13,16-17H2,1-2H3,(H,24,27)/b23-15+
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.17E+4n/an/an/an/an/an/a



Baskent University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE measured for 1 min by Ellman's method


Bioorg Med Chem Lett 23: 440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.064
BindingDB Entry DOI: 10.7270/Q2CN757F
More data for this
Ligand-Target Pair