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BDBM50528116 CHEMBL4462626

SMILES: CC1(NC(=O)N(CC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=AQWKQPDLUVILLS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528116   
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...)
BDBM50528116
PNG
(CHEMBL4462626)
Show SMILES CC1(NC(=O)N(CC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16F3N3O5S/c1-18(12-6-8-14(9-7-12)31(23,29)30)16(27)25(17(28)24-18)10-15(26)11-2-4-13(5-3-11)19(20,21)22/h2-9H,10H2,1H3,(H,24,28)(H2,23,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+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
More data for this
Ligand-Target Pair