BDBM50346437 9-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)-9H-thioxanthen-9-ol::CHEMBL1782720

SMILES: OC1(C[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2Sc2ccccc12

InChI Key: InChIKey=UQQDCAMIUCXPRV-FXAWDEMLSA-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 = 50346437   

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))	BDBM50346437 (9-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)-...) Show SMILES OC1(C[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2Sc2ccccc12 |r| Show InChI InChI=1S/C23H27NOS/c25-23(16-17-8-7-15-24-14-6-5-11-20(17)24)18-9-1-3-12-21(18)26-22-13-4-2-10-19(22)23/h1-4,9-10,12-13,17,20,25H,5-8,11,14-16H2/t17-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	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