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SMILES: COc1ccc(cc1)-c1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F

InChI Key: InChIKey=ORBAWCWPKRGFKA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50528690   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cholinesterase (Equus caballus (Horse))	BDBM50528690 (CHEMBL4545271) Show SMILES COc1ccc(cc1)-c1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F Show InChI InChI=1S/C18H15FN2O4S/c1-24-13-8-6-12(7-9-13)17-14-10-11-26(22,23)25-18(14)21(20-17)16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using varying levels of butyrylthiocholine iodide as substrate by Line weaver Burk reciprocal plot analysis				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111598
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50528690 (CHEMBL4545271) Show SMILES COc1ccc(cc1)-c1nn(c2OS(=O)(=O)CCc12)-c1ccccc1F Show InChI InChI=1S/C18H15FN2O4S/c1-24-13-8-6-12(7-9-13)17-14-10-11-26(22,23)25-18(14)21(20-17)16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/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