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SMILES: Fc1ccccc1-n1nc(C2CC2)c2CCS(=O)(=O)Oc12

InChI Key: InChIKey=CTMADYVHIUYPPF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50528685   
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
Cholinesterase


(Equus caballus (Horse))		BDBM50528685
PNG
(CHEMBL4457213)
Show SMILES Fc1ccccc1-n1nc(C2CC2)c2CCS(=O)(=O)Oc12
Show InChI InChI=1S/C14H13FN2O3S/c15-11-3-1-2-4-12(11)17-14-10(7-8-21(18,19)20-14)13(16-17)9-5-6-9/h1-4,9H,5-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 140n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50528685
PNG
(CHEMBL4457213)
Show SMILES Fc1ccccc1-n1nc(C2CC2)c2CCS(=O)(=O)Oc12
Show InChI InChI=1S/C14H13FN2O3S/c15-11-3-1-2-4-12(11)17-14-10(7-8-21(18,19)20-14)13(16-17)9-5-6-9/h1-4,9H,5-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 199n/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
More data for this
Ligand-Target Pair