BDBM50346438 (1S,9aR)-1-((9H-thioxanthen-9-ylidene)methyl)octahydro-1H-quinolizine::CHEMBL1782721

SMILES: [#6]-1-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6@@H](\[#6]=[#6]-3\c4ccccc4-[#16]-c4ccccc-34)-[#6@H]-2-[#6]-1

InChI Key: InChIKey=DMUVJIIWYVZLFU-LAUBAEHRSA-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 = 50346438   

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))	BDBM50346438 ((1S,9aR)-1-((9H-thioxanthen-9-ylidene)methyl)octah...) Show SMILES [#6]-1-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6@@H](\[#6]=[#6]-3\c4ccccc4-[#16]-c4ccccc-34)-[#6@H]-2-[#6]-1 |r| Show InChI InChI=1S/C23H25NS/c1-3-12-22-18(9-1)20(19-10-2-4-13-23(19)25-22)16-17-8-7-15-24-14-6-5-11-21(17)24/h1-4,9-10,12-13,16-17,21H,5-8,11,14-15H2/t17-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	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