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BDBM50384796 CHEMBL2037382

SMILES: Cn1nc2nc3CCCCc3c(N)c2c1C(N)=O

InChI Key: InChIKey=ASCKNMABNCOUMH-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50384796   
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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50384796
PNG
(CHEMBL2037382)
Show SMILES Cn1nc2nc3CCCCc3c(N)c2c1C(N)=O
Show InChI InChI=1S/C12H15N5O/c1-17-10(11(14)18)8-9(13)6-4-2-3-5-7(6)15-12(8)16-17/h2-5,13H2,1H3,(H2,14,18)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Equus caballus BChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50384796
PNG
(CHEMBL2037382)
Show SMILES Cn1nc2nc3CCCCc3c(N)c2c1C(N)=O
Show InChI InChI=1S/C12H15N5O/c1-17-10(11(14)18)8-9(13)6-4-2-3-5-7(6)15-12(8)16-17/h2-5,13H2,1H3,(H2,14,18)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair