BDBM50346410 2-[(1R,9aR)-(Octahydro-1H-quinolizin-1-yl)methylthio]-1-(10H-phenothiazin-10-yl)propan-1-one::CHEMBL1782735

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

InChI Key: InChIKey=OIHWNHNKECXCTR-NRRUETGQSA-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 = 50346410   

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))	BDBM50346410 (2-[(1R,9aR)-(Octahydro-1H-quinolizin-1-yl)methylth...) Show SMILES CC(SC[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1c2ccccc2Sc2ccccc12 |r| Show InChI InChI=1S/C25H30N2OS2/c1-18(29-17-19-9-8-16-26-15-7-6-10-20(19)26)25(28)27-21-11-2-4-13-23(21)30-24-14-5-3-12-22(24)27/h2-5,11-14,18-20H,6-10,15-17H2,1H3/t18?,19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	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