BDBM50346411 3-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylthio)-1-(10H-phenothiazin-10-yl)propan-1-one::CHEMBL1782736

SMILES: O=C(CCSC[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccccc12

InChI Key: InChIKey=IIZZRBFBRZRZER-VQTJNVASSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50346411   

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))	BDBM50346411 (3-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylth...) Show SMILES O=C(CCSC[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccccc12 |r| Show InChI InChI=1S/C25H30N2OS2/c28-25(14-17-29-18-19-8-7-16-26-15-6-5-9-20(19)26)27-21-10-1-3-12-23(21)30-24-13-4-2-11-22(24)27/h1-4,10-13,19-20H,5-9,14-18H2/t19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	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