BDBM50300762 4,4'-(5-fluoro-1,3-phenylene)bis(3-cyano-1,2,5-oxadiazole 2-oxide)::CHEMBL570121

SMILES: [O-][n+]1onc(c1C#N)-c1cc(F)cc(c1)-c1no[n+]([O-])c1C#N

InChI Key: InChIKey=VUWFBWLIFIYXLD-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 = 50300762   

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
Thioredoxin glutathione reductase (Schistosoma mansoni)	BDBM50300762 (4,4'-(5-fluoro-1,3-phenylene)bis(3-cyano-1,2,5-oxa...) Show SMILES [O-][n+]1onc(c1C#N)-c1cc(F)cc(c1)-c1no[n+]([O-])c1C#N Show InChI InChI=1S/C12H3FN6O4/c13-8-2-6(11-9(4-14)18(20)22-16-11)1-7(3-8)12-10(5-15)19(21)23-17-12/h1-3H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni TGR				J Med Chem 52: 6474-83 (2009) Article DOI: 10.1021/jm901021k BindingDB Entry DOI: 10.7270/Q2TH8MS1
					More data for this Ligand-Target Pair