BDBM50346414 5-((((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylthio)methyl)-10,11-dihydro-5H-dibenzo[b,f]azepine::CHEMBL1782739

SMILES: C(SCN1c2ccccc2CCc2ccccc12)[C@@H]1CCCN2CCCC[C@H]12

InChI Key: InChIKey=XSOOJIUBTJQKSA-XZOQPEGZSA-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 = 50346414   

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))	BDBM50346414 (5-((((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylt...) Show SMILES C(SCN1c2ccccc2CCc2ccccc12)[C@@H]1CCCN2CCCC[C@H]12 |r| Show InChI InChI=1S/C25H32N2S/c1-3-12-24-20(8-1)14-15-21-9-2-4-13-25(21)27(24)19-28-18-22-10-7-17-26-16-6-5-11-23(22)26/h1-4,8-9,12-13,22-23H,5-7,10-11,14-19H2/t22-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	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