BDBM50346412 4-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylthio)-1-(10H-phenothiazin-10-yl)butan-1-one::CHEMBL1782737

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

InChI Key: InChIKey=IPAWGXJELFQQHQ-LEWJYISDSA-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 = 50346412   

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))	BDBM50346412 (4-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylth...) Show SMILES O=C(CCCSC[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccccc12 |r| Show InChI InChI=1S/C26H32N2OS2/c29-26(15-8-18-30-19-20-9-7-17-27-16-6-5-10-21(20)27)28-22-11-1-3-13-24(22)31-25-14-4-2-12-23(25)28/h1-4,11-14,20-21H,5-10,15-19H2/t20-,21+/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	6.80E+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))	BDBM50346412 (4-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylth...) Show SMILES O=C(CCCSC[C@@H]1CCCN2CCCC[C@H]12)N1c2ccccc2Sc2ccccc12 |r| Show InChI InChI=1S/C26H32N2OS2/c29-26(15-8-18-30-19-20-9-7-17-27-16-6-5-10-21(20)27)28-22-11-1-3-13-24(22)31-25-14-4-2-12-23(25)28/h1-4,11-14,20-21H,5-10,15-19H2/t20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	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