BDBM50055240 CHEMBL3317604

SMILES: CCOC(=O)c1c(N)sc(\N=C\c2ccc(o2)[N+]([O-])=O)c1C(=O)OCC

InChI Key: InChIKey=QMKAYZHRSPRJDY-REZTVBANSA-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 = 50055240   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50055240 (CHEMBL3317604) Show SMILES CCOC(=O)c1c(N)sc(\N=C\c2ccc(o2)[N+]([O-])=O)c1C(=O)OCC Show InChI InChI=1S/C15H15N3O7S/c1-3-23-14(19)10-11(15(20)24-4-2)13(26-12(10)16)17-7-8-5-6-9(25-8)18(21)22/h5-7H,3-4,16H2,1-2H3/b17-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP-1B (unknown origin) using pNPP substrate measured after 30 mins				Eur J Med Chem 84: 739-45 (2014) Article DOI: 10.1016/j.ejmech.2014.07.065 BindingDB Entry DOI: 10.7270/Q22Z176V
					More data for this Ligand-Target Pair