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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50445700   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50445700
PNG
(CHEMBL3104332)
Show SMILES COc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3Cl)C(N12)c1ccccc1Cl |t:9,12,14|
Show InChI InChI=1S/C29H23Cl2N3OS/c1-35-21-12-10-18(11-13-21)26-17-36-29-33-27-20(14-19-6-2-4-8-24(19)30)15-32-16-23(27)28(34(26)29)22-7-3-5-9-25(22)31/h2-14,17,28,32H,15-16H2,1H3/b20-14+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.97E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrat...


Bioorg Med Chem 22: 906-16 (2014)


Article DOI: 10.1016/j.bmc.2013.11.020
BindingDB Entry DOI: 10.7270/Q23R0VBZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50445700
PNG
(CHEMBL3104332)
Show SMILES COc1ccc(cc1)C1=CSC2=NC3=C(CNC\C3=C/c3ccccc3Cl)C(N12)c1ccccc1Cl |t:9,12,14|
Show InChI InChI=1S/C29H23Cl2N3OS/c1-35-21-12-10-18(11-13-21)26-17-36-29-33-27-20(14-19-6-2-4-8-24(19)30)15-32-16-23(27)28(34(26)29)22-7-3-5-9-25(22)31/h2-14,17,28,32H,15-16H2,1H3/b20-14+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addi...


Bioorg Med Chem 22: 906-16 (2014)


Article DOI: 10.1016/j.bmc.2013.11.020
BindingDB Entry DOI: 10.7270/Q23R0VBZ
More data for this
Ligand-Target Pair