BindingDB logo
myBDB logout

BDBM50528084 CHEMBL4445241

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

InChI Key: InChIKey=BSCISZQTKDISKE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528084   
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...)
BDBM50528084
PNG
(CHEMBL4445241)
Show SMILES CNS(=O)(=O)c1ccc(cc1)C1(C)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
Show InChI InChI=1S/C19H17F2N3O5S/c1-19(11-3-6-13(7-4-11)30(28,29)22-2)17(26)24(18(27)23-19)10-16(25)14-8-5-12(20)9-15(14)21/h3-9,22H,10H2,1-2H3,(H,23,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/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