BDBM50218852 CHEMBL423684

SMILES: O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccco3)c12

InChI Key: InChIKey=IAMAKASEKJDRJL-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 = 50218852   

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))	BDBM50218852 (CHEMBL423684) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3ccco3)c12 |c:2| Show InChI InChI=1S/C25H16O5/c26-19-12-13-25(29-21-10-1-5-16-6-2-11-22(30-25)23(16)21)18-8-3-9-20(24(18)19)28-15-17-7-4-14-27-17/h1-14H,15H2	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