BDBM50218807 CHEMBL88438

SMILES: CC\C=C\CCOc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23

InChI Key: InChIKey=TYQVSSVHCNKLNT-ONEGZZNKSA-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 = 50218807   

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))	BDBM50218807 (CHEMBL88438) Show SMILES CC\C=C\CCOc1cccc2c1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:16| Show InChI InChI=1S/C26H22O4/c1-2-3-4-5-17-28-21-12-8-11-19-25(21)20(27)15-16-26(19)29-22-13-6-9-18-10-7-14-23(30-26)24(18)22/h3-4,6-16H,2,5,17H2,1H3/b4-3+	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