BDBM50218864 CHEMBL88947

SMILES: COc1cccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)c1

InChI Key: InChIKey=JKUGRCYBZIJJNG-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 = 50218864   

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))	BDBM50218864 (CHEMBL88947) Show SMILES COc1cccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)c1 |c:18| Show InChI InChI=1S/C28H20O5/c1-30-20-9-2-6-18(16-20)17-31-23-11-5-10-21-27(23)22(29)14-15-28(21)32-24-12-3-7-19-8-4-13-25(33-28)26(19)24/h2-16H,17H2,1H3	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