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BDBM50384797 CHEMBL2037383

SMILES: Cn1nc(C(N)=O)c2c(NCCCCCCOc3ccccc3)c3CCCCc3nc12

InChI Key: InChIKey=RUJVXQCLRQRNOX-UHFFFAOYSA-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 = 50384797   
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))
BDBM50384797
PNG
(CHEMBL2037383)
Show SMILES Cn1nc(C(N)=O)c2c(NCCCCCCOc3ccccc3)c3CCCCc3nc12
Show InChI InChI=1S/C24H31N5O2/c1-29-24-20(22(28-29)23(25)30)21(18-13-7-8-14-19(18)27-24)26-15-9-2-3-10-16-31-17-11-5-4-6-12-17/h4-6,11-12H,2-3,7-10,13-16H2,1H3,(H2,25,30)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/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))
BDBM50384797
PNG
(CHEMBL2037383)
Show SMILES Cn1nc(C(N)=O)c2c(NCCCCCCOc3ccccc3)c3CCCCc3nc12
Show InChI InChI=1S/C24H31N5O2/c1-29-24-20(22(28-29)23(25)30)21(18-13-7-8-14-19(18)27-24)26-15-9-2-3-10-16-31-17-11-5-4-6-12-17/h4-6,11-12H,2-3,7-10,13-16H2,1H3,(H2,25,30)(H,26,27)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.30E+3n/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