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BDBM50446108 CHEMBL3108851

SMILES: COc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)cc1C

InChI Key: InChIKey=XBKZJHIKQFSOMO-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 = 50446108   
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)
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
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)

More data for this
Ligand-Target Pair
6-phospho-1-fructokinase, putative


(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)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 2.06E+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)

More data for this
Ligand-Target Pair