BDBM50346421 6-(5-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylthio)pentyloxy)-2H-chromen-2-one::CHEMBL1782748

SMILES: O=c1ccc2cc(OCCCCCSC[C@@H]3CCCN4CCCC[C@H]34)ccc2o1

InChI Key: InChIKey=LARFNKKVRTVWOE-RBBKRZOGSA-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 = 50346421   

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
Acetylcholinesterase (Bos taurus (bovine))	BDBM50346421 (6-(5-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methy...) Show SMILES O=c1ccc2cc(OCCCCCSC[C@@H]3CCCN4CCCC[C@H]34)ccc2o1 |r| Show InChI InChI=1S/C24H33NO3S/c26-24-12-9-19-17-21(10-11-23(19)28-24)27-15-4-1-5-16-29-18-20-7-6-14-25-13-3-2-8-22(20)25/h9-12,17,20,22H,1-8,13-16,18H2/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE using acetylthiocholine iodide as a substrate after 20 mins by Ellman's assay				Eur J Med Chem 46: 2170-84 (2011) Article DOI: 10.1016/j.ejmech.2011.02.071 BindingDB Entry DOI: 10.7270/Q2BK1CPG
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50346421 (6-(5-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methy...) Show SMILES O=c1ccc2cc(OCCCCCSC[C@@H]3CCCN4CCCC[C@H]34)ccc2o1 |r| Show InChI InChI=1S/C24H33NO3S/c26-24-12-9-19-17-21(10-11-23(19)28-24)27-15-4-1-5-16-29-18-20-7-6-14-25-13-3-2-8-22(20)25/h9-12,17,20,22H,1-8,13-16,18H2/t20-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay				Eur J Med Chem 46: 2170-84 (2011) Article DOI: 10.1016/j.ejmech.2011.02.071 BindingDB Entry DOI: 10.7270/Q2BK1CPG
					More data for this Ligand-Target Pair