BDBM50057710 CHEMBL3322839

SMILES: [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3cccc(c3)[N+]([O-])=O)s2)cc1

InChI Key: InChIKey=SOAIOWIFTJNXDY-UHFFFAOYSA-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 = 50057710   

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))	BDBM50057710 (CHEMBL3322839) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3cccc(c3)[N+]([O-])=O)s2)cc1 Show InChI InChI=1S/C21H13N5O6S/c27-19(14-2-1-3-16(12-14)26(30)31)22-21-24-23-20(33-21)13-4-8-17(9-5-13)32-18-10-6-15(7-11-18)25(28)29/h1-12H,(H,22,24,27)	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	0.850	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