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BDBM50446127 CHEMBL3108832

SMILES: Cc1cc(NS(=O)(=O)C2CCN(CC2)C(=O)Cc2ccc(Cl)c(Cl)c2)no1

InChI Key: InChIKey=HFVJZFXVBPWOTF-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 = 50446127   
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)
BDBM50446127
PNG
(CHEMBL3108832)
Show SMILES Cc1cc(NS(=O)(=O)C2CCN(CC2)C(=O)Cc2ccc(Cl)c(Cl)c2)no1
Show InChI InChI=1S/C17H19Cl2N3O4S/c1-11-8-16(20-26-11)21-27(24,25)13-4-6-22(7-5-13)17(23)10-12-2-3-14(18)15(19)9-12/h2-3,8-9,13H,4-7,10H2,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 3.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay


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


(Trypanosoma cruzi)
BDBM50446127
PNG
(CHEMBL3108832)
Show SMILES Cc1cc(NS(=O)(=O)C2CCN(CC2)C(=O)Cc2ccc(Cl)c(Cl)c2)no1
Show InChI InChI=1S/C17H19Cl2N3O4S/c1-11-8-16(20-26-11)21-27(24,25)13-4-6-22(7-5-13)17(23)10-12-2-3-14(18)15(19)9-12/h2-3,8-9,13H,4-7,10H2,1H3,(H,20,21)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Trypanosoma cruzi PFK


Citation and Details
More data for this
Ligand-Target Pair