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BDBM50528143 CHEMBL4557558

SMILES: COC(=O)c1ccc(cc1)C1(C)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O

InChI Key: InChIKey=JELWSTFXZUAMKI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528143   
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...)
BDBM50528143
PNG
(CHEMBL4557558)
Show SMILES COC(=O)c1ccc(cc1)C1(C)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
Show InChI InChI=1S/C20H16F2N2O5/c1-20(12-5-3-11(4-6-12)17(26)29-2)18(27)24(19(28)23-20)10-16(25)14-8-7-13(21)9-15(14)22/h3-9H,10H2,1-2H3,(H,23,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/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