BDBM50398027 CHEMBL2181089

SMILES: [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1

InChI Key: InChIKey=QPIYEMDFUZGJBH-UHFFFAOYSA-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 = 50398027   

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
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50398027 (CHEMBL2181089) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C18H18N4O5S/c23-18-12-13-11-16(5-6-17(13)19-18)28(26,27)21-9-7-20(8-10-21)14-1-3-15(4-2-14)22(24)25/h1-6,11H,7-10,12H2,(H,19,23)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay				J Med Chem 55: 7546-59 (2012) Article DOI: 10.1021/jm3005543 BindingDB Entry DOI: 10.7270/Q27945SS
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50398027 (CHEMBL2181089) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C18H18N4O5S/c23-18-12-13-11-16(5-6-17(13)19-18)28(26,27)21-9-7-20(8-10-21)14-1-3-15(4-2-14)22(24)25/h1-6,11H,7-10,12H2,(H,19,23)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay				J Med Chem 55: 7546-59 (2012) Article DOI: 10.1021/jm3005543 BindingDB Entry DOI: 10.7270/Q27945SS
					More data for this Ligand-Target Pair