BDBM50218860 CHEMBL439585

SMILES: [H][C@@]12O[C@]1([H])C1(Oc3cccc4cccc(O1)c34)[C@@]13O[C@@]1(CCCC3=O)C2=O

InChI Key: InChIKey=RBWNSRYEACJDLO-WNHJNPCNSA-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 = 50218860   

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))	BDBM50218860 (CHEMBL439585) Show SMILES [H][C@@]12O[C@]1([H])C1(Oc3cccc4cccc(O1)c34)[C@@]13O[C@@]1(CCCC3=O)C2=O Show InChI InChI=1S/C20H14O6/c21-13-8-3-9-18-16(22)15-17(23-15)20(19(13,18)26-18)24-11-6-1-4-10-5-2-7-12(25-20)14(10)11/h1-2,4-7,15,17H,3,8-9H2/t15-,17-,18-,19-/m0/s1	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