BDBM50218811 CHEMBL89211

SMILES: O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCCc3ccccc3)c12

InChI Key: InChIKey=VTXIBOPDHZVEHV-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 = 50218811   

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))	BDBM50218811 (CHEMBL89211) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCCc3ccccc3)c12 |c:2| Show InChI InChI=1S/C28H20O4/c29-22-15-17-28(31-24-13-4-9-20-10-5-14-25(32-28)26(20)24)21-11-6-12-23(27(21)22)30-18-16-19-7-2-1-3-8-19/h1-15,17H,16,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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