null

SMILES: COc1ccc(CNC(=O)c2cc3c(ccc4c(C)cc(=O)oc34)oc2=N)c(OC)c1

InChI Key: InChIKey=ZJRBVJALNVWYRQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50500459   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50500459 (CHEMBL3747030) Show SMILES COc1ccc(CNC(=O)c2cc3c(ccc4c(C)cc(=O)oc34)oc2=N)c(OC)c1 Show InChI InChI=1S/C23H20N2O6/c1-12-8-20(26)31-21-15(12)6-7-18-16(21)10-17(22(24)30-18)23(27)25-11-13-4-5-14(28-2)9-19(13)29-3/h4-10,24H,11H2,1-3H3,(H,25,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University 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 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50500459 (CHEMBL3747030) Show SMILES COc1ccc(CNC(=O)c2cc3c(ccc4c(C)cc(=O)oc34)oc2=N)c(OC)c1 Show InChI InChI=1S/C23H20N2O6/c1-12-8-20(26)31-21-15(12)6-7-18-16(21)10-17(22(24)30-18)23(27)25-11-13-4-5-14(28-2)9-19(13)29-3/h4-10,24H,11H2,1-3H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Yogi Vemana University Curated by ChEMBL					Assay Description Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...				Eur J Med Chem 107: 219-32 (2016) Article DOI: 10.1016/j.ejmech.2015.10.046 BindingDB Entry DOI: 10.7270/Q2JW8HWF
					More data for this Ligand-Target Pair