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BDBM50446096 CHEMBL3108862

SMILES: CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1

InChI Key: InChIKey=TYULLOFEMGFUPS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50446096   
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
6-phospho-1-fructokinase


(Trypanosoma brucei)
BDBM50446096
PNG
(CHEMBL3108862)
Show SMILES CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1
Show InChI InChI=1S/C23H20Cl2N2O5S/c1-2-32-23(29)16-4-3-5-18(14-16)27-33(30,31)19-9-7-17(8-10-19)26-22(28)13-15-6-11-20(24)21(25)12-15/h3-12,14,27H,2,13H2,1H3,(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>5.70E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences, National Institutes of Health , 9800 Medical Center Drive, Rockville, Maryland 20850, United States.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


ACS Med Chem Lett 5: 12-7 (2014)


BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
6-phospho-1-fructokinase, putative


(Trypanosoma cruzi)
BDBM50446096
PNG
(CHEMBL3108862)
Show SMILES CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1
Show InChI InChI=1S/C23H20Cl2N2O5S/c1-2-32-23(29)16-4-3-5-18(14-16)27-33(30,31)19-9-7-17(8-10-19)26-22(28)13-15-6-11-20(24)21(25)12-15/h3-12,14,27H,2,13H2,1H3,(H,26,28)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>5.70E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences, National Institutes of Health , 9800 Medical Center Drive, Rockville, Maryland 20850, United States.

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


ACS Med Chem Lett 5: 12-7 (2014)


BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair