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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 = 'BDBM50528136'   
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...)
BDBM50528136
PNG
(CHEMBL4453781)
Show SMILES CC1(NC(=O)N(CC(=O)c2nc3ccccc3s2)C1=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16N4O5S2/c1-19(11-6-8-12(9-7-11)30(20,27)28)17(25)23(18(26)22-19)10-14(24)16-21-13-4-2-3-5-15(13)29-16/h2-9H,10H2,1H3,(H,22,26)(H2,20,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/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