BDBM50057667 CHEMBL3322852

SMILES: [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=FKOADYZTHLQYCF-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 = 50057667   

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
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50057667 (CHEMBL3322852) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H12ClN5O6S/c22-14-5-1-12(2-6-14)19(28)23-21-25-24-20(34-21)13-3-8-16(9-4-13)33-18-10-7-15(26(29)30)11-17(18)27(31)32/h1-11H,(H,23,25,28)	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	2.20	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