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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 = 'BDBM50528125'   
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...)
BDBM50528125
PNG
(CHEMBL4553236)
Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O)c1ccc(cc1)S(=O)(=O)NC1CC1
Show InChI InChI=1S/C21H19F2N3O5S/c1-21(12-2-7-15(8-3-12)32(30,31)25-14-5-6-14)19(28)26(20(29)24-21)11-18(27)16-9-4-13(22)10-17(16)23/h2-4,7-10,14,25H,5-6,11H2,1H3,(H,24,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/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