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SMILES: O=c1n(CCn2[se]c3ccccc3c2=O)[se]c2ccccc12

InChI Key: InChIKey=SFFSGPCYJCMDJM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50385303   

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 (Escherichia coli (strain K12))	BDBM50385303 (CHEMBL2035460 | US8592468, EbSe14) Show SMILES O=c1n(CCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	50	n/a	2.00E+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
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50385303 (CHEMBL2035460 | US8592468, EbSe14) Show SMILES O=c1n(CCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Non-competitive inhibition of rat TrxR1				Bioorg Med Chem 20: 3816-27 (2012) Article DOI: 10.1016/j.bmc.2012.04.033 BindingDB Entry DOI: 10.7270/Q2V69KND
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic (Rattus norvegicus)	BDBM50385303 (CHEMBL2035460 | US8592468, EbSe14) Show SMILES O=c1n(CCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of TrxR1 in rat liver homogenate preincubated for 5 mins measured by DNTB assay				Bioorg Med Chem 20: 3816-27 (2012) Article DOI: 10.1016/j.bmc.2012.04.033 BindingDB Entry DOI: 10.7270/Q2V69KND
					More data for this Ligand-Target Pair