null

SMILES: COc1cccc(CN2CCN(CCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1

InChI Key: InChIKey=CACFQCMXTYRFGE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50024899   

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 (Homo sapiens (Human))	BDBM50024899 (CHEMBL3335030) Show SMILES COc1cccc(CN2CCN(CCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C27H32N2O4/c1-31-21-6-4-5-20(17-21)19-29-13-11-28(12-14-29)15-16-32-22-9-10-24-23-7-2-3-8-25(23)27(30)33-26(24)18-22/h4-6,9-10,17-18H,2-3,7-8,11-16,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Mediterranean University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method				Bioorg Med Chem 22: 5141-54 (2014) Article DOI: 10.1016/j.bmc.2014.08.016 BindingDB Entry DOI: 10.7270/Q2WH2RKB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50024899 (CHEMBL3335030) Show SMILES COc1cccc(CN2CCN(CCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C27H32N2O4/c1-31-21-6-4-5-20(17-21)19-29-13-11-28(12-14-29)15-16-32-22-9-10-24-23-7-2-3-8-25(23)27(30)33-26(24)18-22/h4-6,9-10,17-18H,2-3,7-8,11-16,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Mediterranean University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method				Bioorg Med Chem 22: 5141-54 (2014) Article DOI: 10.1016/j.bmc.2014.08.016 BindingDB Entry DOI: 10.7270/Q2WH2RKB
					More data for this Ligand-Target Pair