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BDBM50446107 CHEMBL1873990

SMILES: COc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)cc1OC

InChI Key: InChIKey=FTWODCXGJFVEPI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50446107   
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)
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
GoogleScholar
AffyNet 
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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)
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)
GoogleScholar
AffyNet 
Purchase

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 cruzi PFK


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

More data for this
Ligand-Target Pair