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BDBM50446092 CHEMBL3108866

SMILES: CN(C)c1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1

InChI Key: InChIKey=NVIDWEOWVGJFSK-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 = 50446092   
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)
BDBM50446092
PNG
(CHEMBL3108866)
Show SMILES CN(C)c1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1
Show InChI InChI=1S/C22H21Cl2N3O3S/c1-27(2)18-5-3-4-17(14-18)26-31(29,30)19-9-7-16(8-10-19)25-22(28)13-15-6-11-20(23)21(24)12-15/h3-12,14,26H,13H2,1-2H3,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 5.80E+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)
BDBM50446092
PNG
(CHEMBL3108866)
Show SMILES CN(C)c1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1
Show InChI InChI=1S/C22H21Cl2N3O3S/c1-27(2)18-5-3-4-17(14-18)26-31(29,30)19-9-7-16(8-10-19)25-22(28)13-15-6-11-20(23)21(24)12-15/h3-12,14,26H,13H2,1-2H3,(H,25,28)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 1.16E+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