BDBM50346413 5-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylthio)-1-(10H-phenothiazin-10-yl)pentan-1-one::CHEMBL1782738

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

InChI Key: InChIKey=OJJNBKOHBHOLSV-FCHUYYIVSA-N

Data: 2 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 2 hits for monomerid = 50346413   

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
Acetylcholinesterase (Bos taurus (bovine))	BDBM50346413 (5-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylth...) Show SMILES O=C(CCCCSC[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccccc12 |r| Show InChI InChI=1S/C27H34N2OS2/c30-27(29-23-12-1-3-14-25(23)32-26-15-4-2-13-24(26)29)16-6-8-19-31-20-21-10-9-18-28-17-7-5-11-22(21)28/h1-4,12-15,21-22H,5-11,16-20H2/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AChE using acetylthiocholine 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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50346413 (5-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylth...) Show SMILES O=C(CCCCSC[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccccc12 |r| Show InChI InChI=1S/C27H34N2OS2/c30-27(29-23-12-1-3-14-25(23)32-26-15-4-2-13-24(26)29)16-6-8-19-31-20-21-10-9-18-28-17-7-5-11-22(21)28/h1-4,12-15,21-22H,5-11,16-20H2/t21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	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