BDBM50261235 (2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzofuran-3-yl)-p-tolylmethanone::CHEMBL455790

SMILES: CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(C)cc1)Cc1ccccc1

InChI Key: InChIKey=ASTZQAAKBGEWAA-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 = 50261235   

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
Cholinesterases (Homo sapiens (Human))	BDBM50261235 ((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(C)cc1)Cc1ccccc1 Show InChI InChI=1S/C37H39NO3/c1-28-17-19-30(20-18-28)36(39)35-33-15-9-10-16-34(33)41-37(35)31-21-23-32(24-22-31)40-26-12-5-3-4-11-25-38(2)27-29-13-7-6-8-14-29/h6-10,13-24H,3-5,11-12,25-27H2,1-2H3	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	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human serum BuchE after 20 mins by Ellman's method				J Med Chem 51: 2883-6 (2008) Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50261235 ((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...) Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(C)cc1)Cc1ccccc1 Show InChI InChI=1S/C37H39NO3/c1-28-17-19-30(20-18-28)36(39)35-33-15-9-10-16-34(33)41-37(35)31-21-23-32(24-22-31)40-26-12-5-3-4-11-25-38(2)27-29-13-7-6-8-14-29/h6-10,13-24H,3-5,11-12,25-27H2,1-2H3	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	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AchE after 20 mins by Ellman's method				J Med Chem 51: 2883-6 (2008) Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ
					More data for this Ligand-Target Pair