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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50446095   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
6-phospho-1-fructokinase


(Trypanosoma brucei)
BDBM50446095
PNG
(CHEMBL3108863)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1
Show InChI InChI=1S/C21H16Cl2N2O5S/c22-18-10-1-13(11-19(18)23)12-20(26)24-15-6-8-17(9-7-15)31(29,30)25-16-4-2-14(3-5-16)21(27)28/h1-11,25H,12H2,(H,24,26)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 160n/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)
BDBM50446095
PNG
(CHEMBL3108863)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1
Show InChI InChI=1S/C21H16Cl2N2O5S/c22-18-10-1-13(11-19(18)23)12-20(26)24-15-6-8-17(9-7-15)31(29,30)25-16-4-2-14(3-5-16)21(27)28/h1-11,25H,12H2,(H,24,26)(H,27,28)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 290n/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