null

SMILES: CCN(CCCCCC=Nc1cc(O)c2ncccc2c1O)Cc1ccccc1OC

InChI Key: InChIKey=QZNQVBICQYSGJQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50361663   

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))	BDBM50361663 (CHEMBL1940613) Show SMILES CCN(CCCCCC=Nc1cc(O)c2ncccc2c1O)Cc1ccccc1OC |w:9.9| Show InChI InChI=1S/C25H31N3O3/c1-3-28(18-19-11-6-7-13-23(19)31-2)16-9-5-4-8-14-26-21-17-22(29)24-20(25(21)30)12-10-15-27-24/h6-7,10-15,17,29-30H,3-5,8-9,16,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.56E+3	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))	BDBM50361663 (CHEMBL1940613) Show SMILES CCN(CCCCCC=Nc1cc(O)c2ncccc2c1O)Cc1ccccc1OC |w:9.9| Show InChI InChI=1S/C25H31N3O3/c1-3-28(18-19-11-6-7-13-23(19)31-2)16-9-5-4-8-14-26-21-17-22(29)24-20(25(21)30)12-10-15-27-24/h6-7,10-15,17,29-30H,3-5,8-9,16,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	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