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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50446108   
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 cruzi)		BDBM50446108
PNG
(CHEMBL3108851)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)cc1C
Show InChI InChI=1S/C20H21N3O5S/c1-13-10-15(4-9-18(13)27-3)12-20(24)21-16-5-7-17(8-6-16)29(25,26)23-19-11-14(2)28-22-19/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.06E+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
ATP-dependent 6-phosphofructokinase


(Trypanosoma brucei)		BDBM50446108
PNG
(CHEMBL3108851)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)cc1C
Show InChI InChI=1S/C20H21N3O5S/c1-13-10-15(4-9-18(13)27-3)12-20(24)21-16-5-7-17(8-6-16)29(25,26)23-19-11-14(2)28-22-19/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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