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BDBM50391205 CHEMBL2088783

SMILES: Nc1nc(NC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N

InChI Key: InChIKey=CUQAAIMMMVTGCT-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50391205   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50391205
PNG
(CHEMBL2088783)
Show SMILES Nc1nc(NC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N
Show InChI InChI=1S/C19H20N6/c20-11-15-10-16(12-21)19(24-18(15)22)23-17-6-8-25(9-7-17)13-14-4-2-1-3-5-14/h1-5,10,17H,6-9,13H2,(H3,22,23,24)
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MMDB

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PC cid
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Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Instituto de Qu£mica Org£nica General (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method


Eur J Med Chem 57: 296-301 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.030
BindingDB Entry DOI: 10.7270/Q2MP54CK
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50391205
PNG
(CHEMBL2088783)
Show SMILES Nc1nc(NC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N
Show InChI InChI=1S/C19H20N6/c20-11-15-10-16(12-21)19(24-18(15)22)23-17-6-8-25(9-7-17)13-14-4-2-1-3-5-14/h1-5,10,17H,6-9,13H2,(H3,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Instituto de Qu£mica Org£nica General (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method


Eur J Med Chem 57: 296-301 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.030
BindingDB Entry DOI: 10.7270/Q2MP54CK
More data for this
Ligand-Target Pair