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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphotransferase' and Ligand = 'BDBM50173790'   
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)
BDBM50173790
PNG
(2-(biphenyl-3-ylamino)ethane-1,1-diyldiphosphonic ...)
Show SMILES OP(O)(=O)C(CNc1cccc(c1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)10-15-13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21)
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)
BDBM50173790
PNG
(2-(biphenyl-3-ylamino)ethane-1,1-diyldiphosphonic ...)
Show SMILES OP(O)(=O)C(CNc1cccc(c1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)10-15-13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.47E+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