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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50528684   
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
Cholinesterase


(Equus caballus (Horse))		BDBM50528684
PNG
(CHEMBL4560302)
Show SMILES Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F
Show InChI InChI=1S/C12H11FN2O3S/c1-8-9-6-7-19(16,17)18-12(9)15(14-8)11-5-3-2-4-10(11)13/h2-5H,6-7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.19E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by addition of substrate ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112273
BindingDB Entry DOI: 10.7270/Q2T157BP
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50528684
PNG
(CHEMBL4560302)
Show SMILES Cc1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F
Show InChI InChI=1S/C12H11FN2O3S/c1-8-9-6-7-19(16,17)18-12(9)15(14-8)11-5-3-2-4-10(11)13/h2-5H,6-7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111598
BindingDB Entry DOI: 10.7270/Q24F1V59
More data for this
Ligand-Target Pair