BDBM50057659 CHEMBL3322841

SMILES: [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccco3)s2)cc1

InChI Key: InChIKey=QFUMHBGMIBNLME-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 = 50057659   

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))	BDBM50057659 (CHEMBL3322841) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccco3)s2)cc1 Show InChI InChI=1S/C19H12N4O5S/c24-17(16-2-1-11-27-16)20-19-22-21-18(29-19)12-3-7-14(8-4-12)28-15-9-5-13(6-10-15)23(25)26/h1-11H,(H,20,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Liaoning Normal University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Bioorg Med Chem Lett 24: 4125-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.055 BindingDB Entry DOI: 10.7270/Q2MP54XR
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50057659 (CHEMBL3322841) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccco3)s2)cc1 Show InChI InChI=1S/C19H12N4O5S/c24-17(16-2-1-11-27-16)20-19-22-21-18(29-19)12-3-7-14(8-4-12)28-15-9-5-13(6-10-15)23(25)26/h1-11H,(H,20,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Liaoning Normal University Curated by ChEMBL					Assay Description Inhibition of Cdc25B (unknown origin)				Bioorg Med Chem Lett 24: 4125-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.055 BindingDB Entry DOI: 10.7270/Q2MP54XR
					More data for this Ligand-Target Pair