BDBM106949 US8592468, EbSe13

SMILES: O=c1n([se]c2ccccc12)-c1ccncc1

InChI Key: InChIKey=PFBOLSQBQXKEDS-UHFFFAOYSA-N

Data: 1 KI  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 = 106949   

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 reductase (TrxR) (Escherichia coli (strain K12))	BDBM106949 (US8592468, EbSe13) Show SMILES O=c1n([se]c2ccccc12)-c1ccncc1 Show InChI InChI=1S/C12H8N2OSe/c15-12-10-3-1-2-4-11(10)16-14(12)9-5-7-13-8-6-9/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.50E+3	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair