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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Decaprenylphosphoryl-beta-D-ribose oxidase' and Ligand = 'BDBM50528084'   
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
Decaprenylphosphoryl-beta-D-ribose oxidase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50528084
PNG
(CHEMBL4445241)
Show SMILES CNS(=O)(=O)c1ccc(cc1)C1(C)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
Show InChI InChI=1S/C19H17F2N3O5S/c1-19(11-3-6-13(7-4-11)30(28,29)22-2)17(26)24(18(27)23-19)10-16(25)14-8-5-12(20)9-15(14)21/h3-9,22H,10H2,1-2H3,(H,23,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells


J Med Chem 63: 5367-5386 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817
More data for this
Ligand-Target Pair