BDBM50024953 CHEMBL3335025

SMILES: CN(CCOc1ccc2c3CCCCc3c(=O)oc2c1)Cc1ccccc1

InChI Key: InChIKey=YCPZOCGKKJAVJI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50024953   

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))	BDBM50024953 (CHEMBL3335025) Show SMILES CN(CCOc1ccc2c3CCCCc3c(=O)oc2c1)Cc1ccccc1 Show InChI InChI=1S/C23H25NO3/c1-24(16-17-7-3-2-4-8-17)13-14-26-18-11-12-20-19-9-5-6-10-21(19)23(25)27-22(20)15-18/h2-4,7-8,11-12,15H,5-6,9-10,13-14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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))	BDBM50024953 (CHEMBL3335025) Show SMILES CN(CCOc1ccc2c3CCCCc3c(=O)oc2c1)Cc1ccccc1 Show InChI InChI=1S/C23H25NO3/c1-24(16-17-7-3-2-4-8-17)13-14-26-18-11-12-20-19-9-5-6-10-21(19)23(25)27-22(20)15-18/h2-4,7-8,11-12,15H,5-6,9-10,13-14,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+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