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2 similar compounds to monomer 50210817

Compile data set for download or QSAR
Wt: 329.3
BDBM50210843
Wt: 459.5
BDBM50210831

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50210843,50210831   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50210831
PNG
(CHEMBL3950236)
Show SMILES Fc1ccccc1CN1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C24H30FN3O3S/c25-22-11-5-3-9-20(22)19-27-17-15-26(16-18-27)13-7-1-2-8-14-28-24(29)21-10-4-6-12-23(21)32(28,30)31/h3-6,9-12H,1-2,7-8,13-19H2
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.43E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...


Eur J Med Chem 125: 676-695 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.078
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50210843
PNG
(CHEMBL3971444)
Show SMILES CCOC(=O)NCCCn1c2CCCNC(=O)c2c2ccccc12
Show InChI InChI=1S/C18H23N3O3/c1-2-24-18(23)20-11-6-12-21-14-8-4-3-7-13(14)16-15(21)9-5-10-19-17(16)22/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,22)(H,20,23)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



University of Bari"A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE pretreated for 20 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's method


Eur J Med Chem 125: 288-298 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.037
BindingDB Entry DOI: 10.7270/Q2G44S9D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210843
PNG
(CHEMBL3971444)
Show SMILES CCOC(=O)NCCCn1c2CCCNC(=O)c2c2ccccc12
Show InChI InChI=1S/C18H23N3O3/c1-2-24-18(23)20-11-6-12-21-14-8-4-3-7-13(14)16-15(21)9-5-10-19-17(16)22/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,22)(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of Bari"A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE pretreated for 20 mins followed by butyrylthiocholine iodide substrate addition measured for 5 mins by Ellman's method


Eur J Med Chem 125: 288-298 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.037
BindingDB Entry DOI: 10.7270/Q2G44S9D
More data for this
Ligand-Target Pair