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BDBM50446120 CHEMBL3108839

SMILES: CN(c1cc(C)on1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1

InChI Key: InChIKey=SWWKJJXNISLZFP-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 = 50446120   
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)
BDBM50446120
PNG
(CHEMBL3108839)
Show SMILES CN(c1cc(C)on1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-12-9-18(23-28-12)24(2)29(26,27)15-6-4-14(5-7-15)22-19(25)11-13-3-8-16(20)17(21)10-13/h3-10H,11H2,1-2H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 2.91E+3n/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)
BDBM50446120
PNG
(CHEMBL3108839)
Show SMILES CN(c1cc(C)on1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-12-9-18(23-28-12)24(2)29(26,27)15-6-4-14(5-7-15)22-19(25)11-13-3-8-16(20)17(21)10-13/h3-10H,11H2,1-2H3,(H,22,25)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 2.06E+3n/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