BDBM50218802 CHEMBL89366

SMILES: O[C@H]1C2C3CC(C=C3)C2[C@@H](O)C2=C1C(=O)C=CC21Oc2cccc3cccc(O1)c23

InChI Key: InChIKey=CJZTTYFCYIMARM-PPWGSDARSA-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 = 50218802   

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))	BDBM50218802 (CHEMBL89366) Show SMILES O[C@H]1C2C3CC(C=C3)C2[C@@H](O)C2=C1C(=O)C=CC21Oc2cccc3cccc(O1)c23 |c:6,13,18| Show InChI InChI=1S/C25H20O5/c26-15-9-10-25(29-16-5-1-3-12-4-2-6-17(30-25)18(12)16)22-21(15)23(27)19-13-7-8-14(11-13)20(19)24(22)28/h1-10,13-14,19-20,23-24,27-28H,11H2/t13?,14?,19?,20?,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	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