BDBM50218855 CHEMBL89080

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2c1-[#6](=O)-[#6]=[#6]C21[#8]-c2cccc3cccc(-[#8]1)c23

InChI Key: InChIKey=GNOSCIFUNNHCCJ-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 = 50218855   

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 3 (Homo sapiens (Human))	BDBM50218855 (CHEMBL89080) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cccc2c1-[#6](=O)-[#6]=[#6]C21[#8]-c2cccc3cccc(-[#8]1)c23 |c:15| Show InChI InChI=1S/C25H20O4/c1-16(2)13-15-27-20-9-5-8-18-24(20)19(26)12-14-25(18)28-21-10-3-6-17-7-4-11-22(29-25)23(17)21/h3-14H,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair