BDBM50385284 CHEMBL2035479

SMILES: Cc1ccc2[se]n(C3CCC(CC3)n3[se]c4ccc(F)cc4c3=O)c(=O)c2c1

InChI Key: InChIKey=NTFVGQBRKSOLHC-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 = 50385284   

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 1, cytoplasmic (Rattus norvegicus)	BDBM50385284 (CHEMBL2035479) Show SMILES Cc1ccc2[se]n(C3CCC(CC3)n3[se]c4ccc(F)cc4c3=O)c(=O)c2c1 |(-10.91,4.24,;-9.58,3.48,;-9.58,1.93,;-8.25,1.16,;-6.92,1.93,;-5.44,1.45,;-4.53,2.71,;-2.99,2.71,;-2.23,1.38,;-.7,1.37,;.08,2.7,;-.69,4.04,;-2.23,4.05,;1.62,2.69,;2.57,1.47,;4.03,1.99,;5.39,1.27,;6.7,2.08,;6.64,3.62,;7.95,4.43,;5.29,4.35,;3.98,3.54,;2.49,3.97,;1.97,5.42,;-5.44,3.96,;-4.97,5.43,;-6.92,3.48,;-8.25,4.25,)| Show InChI InChI=1S/C21H19FN2O2Se2/c1-12-2-8-18-16(10-12)20(25)23(27-18)14-4-6-15(7-5-14)24-21(26)17-11-13(22)3-9-19(17)28-24/h2-3,8-11,14-15H,4-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	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