BDBM156236 US9018255, 3b

SMILES: CCOC(=O)CNC(=O)C(CC(C)C)NC(=O)C(=C)COC(=O)c1c(Cl)cccc1Cl

InChI Key: InChIKey=ZQEFBSNKAVWNJR-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 = 156236   

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 1, cytoplasmic (Homo sapiens (Human))	BDBM156236 (US9018255, 3b) Show SMILES CCOC(=O)CNC(=O)C(CC(C)C)NC(=O)C(=C)COC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C21H26Cl2N2O6/c1-5-30-17(26)10-24-20(28)16(9-12(2)3)25-19(27)13(4)11-31-21(29)18-14(22)7-6-8-15(18)23/h6-8,12,16H,4-5,9-11H2,1-3H3,(H,24,28)(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.6	n/a
Instytut Chemii Organicznej Polskiej Akademii Nauk; Warszawski Uniwersytet Medyczny US Patent					Assay Description The method of determining thioredoxin activity is based on the reduction of insulin by thioredoxin. Thioredoxin is reconstituted is by thioredoxin re...				US Patent US9018255 (2015) BindingDB Entry DOI: 10.7270/Q2VD6X6N
					More data for this Ligand-Target Pair