BDBM50532918 CHEMBL1325877

SMILES: COc1ccc(cc1)C(=O)c1no[n+]([O-])c1C(=O)c1ccc(OC)cc1

InChI Key: InChIKey=FSLCSENNTORBKX-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 = 50532918   

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)	BDBM50532918 (CHEMBL1325877) Show SMILES COc1ccc(cc1)C(=O)c1no[n+]([O-])c1C(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H14N2O6/c1-24-13-7-3-11(4-8-13)17(21)15-16(20(23)26-19-15)18(22)12-5-9-14(25-2)10-6-12/h3-10H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni TGR				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038
					More data for this Ligand-Target Pair
Thioredoxin glutathione reductase (Schistosoma mansoni)	BDBM50532918 (CHEMBL1325877) Show SMILES COc1ccc(cc1)C(=O)c1no[n+]([O-])c1C(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H14N2O6/c1-24-13-7-3-11(4-8-13)17(21)15-16(20(23)26-19-15)18(22)12-5-9-14(25-2)10-6-12/h3-10H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Goi£s Curated by ChEMBL					Assay Description Inhibition of Schistosoma mansoni TGR				J Med Chem 59: 7075-88 (2016) Article DOI: 10.1021/acs.jmedchem.5b02038
					More data for this Ligand-Target Pair