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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50446107   
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
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)
BDBM50446107
PNG
(CHEMBL1873990)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)cc1OC
Show InChI InChI=1S/C20H21N3O6S/c1-13-10-19(22-29-13)23-30(25,26)16-7-5-15(6-8-16)21-20(24)12-14-4-9-17(27-2)18(11-14)28-3/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.70E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

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)


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair
ATP-dependent 6-phosphofructokinase


(Trypanosoma cruzi)
BDBM50446107
PNG
(CHEMBL1873990)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)cc1OC
Show InChI InChI=1S/C20H21N3O6S/c1-13-10-19(22-29-13)23-30(25,26)16-7-5-15(6-8-16)21-20(24)12-14-4-9-17(27-2)18(11-14)28-3/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.70E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi PFK


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


Article DOI: 10.1021/ml400259d
BindingDB Entry DOI: 10.7270/Q2X34ZX7
More data for this
Ligand-Target Pair