BDBM50394576 CHEMBL2160232

SMILES: COc1cccc(C(=O)c2c(oc3ccccc23)-c2cccc(OCCCCCCCN(C)Cc3ccccc3)c2)c1OC

InChI Key: InChIKey=AMBLFDLOEOETKY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50394576   

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))	BDBM50394576 (CHEMBL2160232) Show SMILES COc1cccc(C(=O)c2c(oc3ccccc23)-c2cccc(OCCCCCCCN(C)Cc3ccccc3)c2)c1OC Show InChI InChI=1S/C38H41NO5/c1-39(27-28-16-8-7-9-17-28)24-12-5-4-6-13-25-43-30-19-14-18-29(26-30)37-35(31-20-10-11-22-33(31)44-37)36(40)32-21-15-23-34(41-2)38(32)42-3/h7-11,14-23,26H,4-6,12-13,24-25,27H2,1-3H3	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	3.01E+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 using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
					More data for this Ligand-Target Pair