BDBM50218813 CHEMBL88831

SMILES: FC(F)(F)c1ccccc1-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1

InChI Key: InChIKey=BVRLEHHGUFNUMW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50218813   

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))	BDBM50218813 (CHEMBL88831) Show SMILES FC(F)(F)c1ccccc1-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:26| Show InChI InChI=1S/C32H19F3O5/c33-32(34,35)22-9-2-1-8-21(22)25-15-14-20(38-25)18-37-26-11-5-10-23-30(26)24(36)16-17-31(23)39-27-12-3-6-19-7-4-13-28(40-31)29(19)27/h1-17H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218813 (CHEMBL88831) Show SMILES FC(F)(F)c1ccccc1-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:26| Show InChI InChI=1S/C32H19F3O5/c33-32(34,35)22-9-2-1-8-21(22)25-15-14-20(38-25)18-37-26-11-5-10-23-30(26)24(36)16-17-31(23)39-27-12-3-6-19-7-4-13-28(40-31)29(19)27/h1-17H,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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