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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thioredoxin reductase' and Ligand = 'BDBM50435853'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Thioredoxin reductase


(Mycobacterium tuberculosis)		BDBM50435853
PNG
(CHEMBL2393584)
Show SMILES Nc1nc(cs1)-c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C12H8N2O3S/c13-12-14-9(5-18-12)8-3-6-1-2-7(15)4-10(6)17-11(8)16/h1-5,15H,(H2,13,14)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



MSD Animal Health Innovation GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TrxR after 10 mins by microplate reader analysis

J Med Chem 56: 4849-59 (2013)


Article DOI: 10.1021/jm3015734
BindingDB Entry DOI: 10.7270/Q21C1Z88
More data for this
Ligand-Target Pair