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BDBM50528134 CHEMBL4466669

SMILES: COc1ccccc1C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=OJVATLAXHQXUFX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528134   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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...)
BDBM50528134
PNG
(CHEMBL4466669)
Show SMILES COc1ccccc1C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H19N3O6S/c1-19(12-7-9-13(10-8-12)29(20,26)27)17(24)22(18(25)21-19)11-15(23)14-5-3-4-6-16(14)28-2/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51E+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
More data for this
Ligand-Target Pair