null

SMILES: COc1cc(CCc2ccc(Nc3c4CCCCc4nc4cc(Cl)ccc34)cc2)cc(OC)c1

InChI Key: InChIKey=CIHBFWGGJXFNKH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50235363   

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 (Homo sapiens (Human))	BDBM50235363 (CHEMBL4083174) Show SMILES COc1cc(CCc2ccc(Nc3c4CCCCc4nc4cc(Cl)ccc34)cc2)cc(OC)c1 Show InChI InChI=1S/C29H29ClN2O2/c1-33-23-15-20(16-24(18-23)34-2)8-7-19-9-12-22(13-10-19)31-29-25-5-3-4-6-27(25)32-28-17-21(30)11-14-26(28)29/h9-18H,3-8H2,1-2H3,(H,31,32)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase isolated from human red blood cells using acetylthiocholine as substrate preincubated for 5 mins followed by subst...				Eur J Med Chem 127: 250-262 (2017) Article DOI: 10.1016/j.ejmech.2016.12.048 BindingDB Entry DOI: 10.7270/Q20P1289
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235363 (CHEMBL4083174) Show SMILES COc1cc(CCc2ccc(Nc3c4CCCCc4nc4cc(Cl)ccc34)cc2)cc(OC)c1 Show InChI InChI=1S/C29H29ClN2O2/c1-33-23-15-20(16-24(18-23)34-2)8-7-19-9-12-22(13-10-19)31-29-25-5-3-4-6-27(25)32-28-17-21(30)11-14-26(28)29/h9-18H,3-8H2,1-2H3,(H,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.31E+3	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of propidium iodide from electric eel AChE by spectrofluorometric method				Eur J Med Chem 127: 250-262 (2017) Article DOI: 10.1016/j.ejmech.2016.12.048 BindingDB Entry DOI: 10.7270/Q20P1289
					More data for this Ligand-Target Pair