BDBM50361665 CHEMBL1940615

SMILES: CCN(CCCCCC=Nc1cc(O)c(OC)cc1O)Cc1ccccc1OC

InChI Key: InChIKey=FFSQSJLRKKHTGJ-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 = 50361665   

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))	BDBM50361665 (CHEMBL1940615) Show SMILES CCN(CCCCCC=Nc1cc(O)c(OC)cc1O)Cc1ccccc1OC |w:9.9| Show InChI InChI=1S/C23H32N2O4/c1-4-25(17-18-11-7-8-12-22(18)28-2)14-10-6-5-9-13-24-19-15-21(27)23(29-3)16-20(19)26/h7-8,11-13,15-16,26-27H,4-6,9-10,14,17H2,1-3H3	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	2.28E+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 BuChE using butyrylthiocholine iodide as substrate after 20 mins preincubation by Ellman method				J Med Chem 54: 8299-304 (2011) Article DOI: 10.1021/jm200691d BindingDB Entry DOI: 10.7270/Q2V40VNM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50361665 (CHEMBL1940615) Show SMILES CCN(CCCCCC=Nc1cc(O)c(OC)cc1O)Cc1ccccc1OC |w:9.9| Show InChI InChI=1S/C23H32N2O4/c1-4-25(17-18-11-7-8-12-22(18)28-2)14-10-6-5-9-13-24-19-15-21(27)23(29-3)16-20(19)26/h7-8,11-13,15-16,26-27H,4-6,9-10,14,17H2,1-3H3	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	65	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 using acetylthiocholine iodide as substrate after 20 mins preincubation by Ellman method				J Med Chem 54: 8299-304 (2011) Article DOI: 10.1021/jm200691d BindingDB Entry DOI: 10.7270/Q2V40VNM
					More data for this Ligand-Target Pair