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SMILES: COc1cc2CC(CC3CCN(Cc4cccc(Br)n4)CC3)C(=O)c2cc1OC

InChI Key: InChIKey=QSLYRRWEPSEYKU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50204838   

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))	BDBM50204838 (CHEMBL3973337) Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Br)n4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C23H27BrN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50204838 (CHEMBL3973337) Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Br)n4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C23H27BrN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	253	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical 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 up to 3 m...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50204838 (CHEMBL3973337) Show SMILES COc1cc2CC(CC3CCN(Cc4cccc(Br)n4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C23H27BrN2O3/c1-28-20-12-16-11-17(23(27)19(16)13-21(20)29-2)10-15-6-8-26(9-7-15)14-18-4-3-5-22(24)25-18/h3-5,12-13,15,17H,6-11,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair