BDBM50057654 CHEMBL3322830

SMILES: Cc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1

InChI Key: InChIKey=RIXRRACTKHCABL-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 = 50057654   

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))	BDBM50057654 (CHEMBL3322830) Show SMILES Cc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C22H16N4O4S/c1-14-4-2-3-5-19(14)20(27)23-22-25-24-21(31-22)15-6-10-17(11-7-15)30-18-12-8-16(9-13-18)26(28)29/h2-13H,1H3,(H,23,25,27)	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	3.5	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))	BDBM50057654 (CHEMBL3322830) Show SMILES Cc1ccccc1C(=O)Nc1nnc(s1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C22H16N4O4S/c1-14-4-2-3-5-19(14)20(27)23-22-25-24-21(31-22)15-6-10-17(11-7-15)30-18-12-8-16(9-13-18)26(28)29/h2-13H,1H3,(H,23,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	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