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BDBM50446115 CHEMBL3108844

SMILES: Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)no1

InChI Key: InChIKey=HMDNFPXVKUMLSW-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 = 50446115   
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)
BDBM50446115
PNG
(CHEMBL3108844)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)no1
Show InChI InChI=1S/C18H16ClN3O4S/c1-12-10-17(21-26-12)22-27(24,25)16-8-6-15(7-9-16)20-18(23)11-13-2-4-14(19)5-3-13/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
n/an/a 1.83E+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)
BDBM50446115
PNG
(CHEMBL3108844)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)no1
Show InChI InChI=1S/C18H16ClN3O4S/c1-12-10-17(21-26-12)22-27(24,25)16-8-6-15(7-9-16)20-18(23)11-13-2-4-14(19)5-3-13/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
n/an/a 1.46E+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