BDBM50346436 5-Methyl-1-(9H-thioxanthen-9-ylmethyl)-(1S,9aR)-octahydroquinolizinium iodide::CHEMBL1782719

SMILES: C[N+]12CCCC[C@@H]1[C@H](CC1c3ccccc3Sc3ccccc13)CCC2

InChI Key: InChIKey=BLIMBNCYWMKEGF-HKUCRGJHSA-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 = 50346436   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50346436 (5-Methyl-1-(9H-thioxanthen-9-ylmethyl)-(1S,9aR)-oc...) Show SMILES C[N+]12CCCC[C@@H]1[C@H](CC1c3ccccc3Sc3ccccc13)CCC2 |r| Show InChI InChI=1S/C24H30NS/c1-25-15-7-6-12-22(25)18(9-8-16-25)17-21-19-10-2-4-13-23(19)26-24-14-5-3-11-20(21)24/h2-5,10-11,13-14,18,21-22H,6-9,12,15-17H2,1H3/q+1/t18-,22+,25?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	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