BDBM50210827 CHEMBL3922423

SMILES: O=C1N(CCCCCNCc2ccccc2)S(=O)(=O)c2ccccc12

InChI Key: InChIKey=ZGHYKEDJXGZSTQ-UHFFFAOYSA-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 = 50210827   

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 (Homo sapiens (Human))	BDBM50210827 (CHEMBL3922423) Show SMILES O=C1N(CCCCCNCc2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C19H22N2O3S/c22-19-17-11-5-6-12-18(17)25(23,24)21(19)14-8-2-7-13-20-15-16-9-3-1-4-10-16/h1,3-6,9-12,20H,2,7-8,13-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured afte...				Eur J Med Chem 125: 676-695 (2017) Article DOI: 10.1016/j.ejmech.2016.09.078 BindingDB Entry DOI: 10.7270/Q22Z17QK
					More data for this Ligand-Target Pair