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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Decaprenylphosphoryl-beta-D-ribose oxidase' and Ligand = 'BDBM50517949'   
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 smegmatis (strain ATCC 700084 / mc(2...)
BDBM50517949
PNG
(CHEMBL4447540)
Show SMILES CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1
Show InChI InChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-7-16-5-3-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00227
BindingDB Entry DOI: 10.7270/Q2RR238M
More data for this
Ligand-Target Pair
Decaprenylphosphoryl-beta-D-ribose oxidase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50517949
PNG
(CHEMBL4447540)
Show SMILES CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnccc2s1
Show InChI InChI=1S/C15H12N4O4S2/c1-2-23-15(22)19-11(20)8-4-6-24-13(8)18-12(21)14-17-9-7-16-5-3-10(9)25-14/h3-7H,2H2,1H3,(H,18,21)(H,19,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



The Maharaja Sayajirao University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-thioredoxin tagged Mycobacterium tuberculosis H37Rv DprE1 expressed in Escherichia coli BL21(DE3) using FPR as substrat...


J Med Chem 61: 8563-8593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00281
BindingDB Entry DOI: 10.7270/Q2PR80CC
More data for this
Ligand-Target Pair