BDBM50346417 6-chloro-2-methoxy-N-(3-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylthio)propyl)acridin-9-amine::CHEMBL1782743

SMILES: COc1ccc2nc3cc(Cl)ccc3c(NCCCSC[C@@H]3CCCN4CCCC[C@H]34)c2c1

InChI Key: InChIKey=HMKAKDYSOOVYMW-AFMDSPMNSA-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 = 50346417   

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))	BDBM50346417 (6-chloro-2-methoxy-N-(3-(((1R,9aR)-octahydro-1H-qu...) Show SMILES COc1ccc2nc3cc(Cl)ccc3c(NCCCSC[C@@H]3CCCN4CCCC[C@H]34)c2c1 |r| Show InChI InChI=1S/C27H34ClN3OS/c1-32-21-9-11-24-23(17-21)27(22-10-8-20(28)16-25(22)30-24)29-12-5-15-33-18-19-6-4-14-31-13-3-2-7-26(19)31/h8-11,16-17,19,26H,2-7,12-15,18H2,1H3,(H,29,30)/t19-,26+/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	220	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))	BDBM50346417 (6-chloro-2-methoxy-N-(3-(((1R,9aR)-octahydro-1H-qu...) Show SMILES COc1ccc2nc3cc(Cl)ccc3c(NCCCSC[C@@H]3CCCN4CCCC[C@H]34)c2c1 |r| Show InChI InChI=1S/C27H34ClN3OS/c1-32-21-9-11-24-23(17-21)27(22-10-8-20(28)16-25(22)30-24)29-12-5-15-33-18-19-6-4-14-31-13-3-2-7-26(19)31/h8-11,16-17,19,26H,2-7,12-15,18H2,1H3,(H,29,30)/t19-,26+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	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