BDBM50398032 CHEMBL1603014

SMILES: CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1

InChI Key: InChIKey=IOWHNNUEAIMNRP-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 50398032   

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))	BDBM50398032 (CHEMBL1603014) Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C20H21N3O4S/c1-14(24)15-2-4-17(5-3-15)22-8-10-23(11-9-22)28(26,27)18-6-7-19-16(12-18)13-20(25)21-19/h2-7,12H,8-11,13H2,1H3,(H,21,25)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	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))	BDBM50398032 (CHEMBL1603014) Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C20H21N3O4S/c1-14(24)15-2-4-17(5-3-15)22-8-10-23(11-9-22)28(26,27)18-6-7-19-16(12-18)13-20(25)21-19/h2-7,12H,8-11,13H2,1H3,(H,21,25)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	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
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50398032 (CHEMBL1603014) Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1 Show InChI InChI=1S/C20H21N3O4S/c1-14(24)15-2-4-17(5-3-15)22-8-10-23(11-9-22)28(26,27)18-6-7-19-16(12-18)13-20(25)21-19/h2-7,12H,8-11,13H2,1H3,(H,21,25)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Binding affinity at wild type recombinant NT-495 labelled GAA incubated for 15 mins by microscale thermophoresis 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