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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphotransferase' and Ligand = 'BDBM50173796'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphotransferase


(Trypanosoma cruzi)
BDBM50173796
PNG
(CHEMBL450938 | [(3-nitro-phenylamino)-phosphono-me...)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)[N+]([O-])=O)P(O)(O)=O
Show InChI InChI=1S/C7H10N2O8P2/c10-9(11)6-3-1-2-5(4-6)8-7(18(12,13)14)19(15,16)17/h1-4,7-8H,(H2,12,13,14)(H2,15,16,17)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 810n/an/an/an/an/an/a



Instituto Venezolano de Investigaciones Cient£ficas

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi hexokinase


J Biol Chem 282: 12377-87 (2007)


Article DOI: 10.1074/jbc.M607286200
BindingDB Entry DOI: 10.7270/Q2FT8MXH
More data for this
Ligand-Target Pair
Phosphotransferase


(Trypanosoma cruzi)
BDBM50173796
PNG
(CHEMBL450938 | [(3-nitro-phenylamino)-phosphono-me...)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)[N+]([O-])=O)P(O)(O)=O
Show InChI InChI=1S/C7H10N2O8P2/c10-9(11)6-3-1-2-5(4-6)8-7(18(12,13)14)19(15,16)17/h1-4,7-8H,(H2,12,13,14)(H2,15,16,17)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase


J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair