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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Triosephosphate isomerase' and Ligand = 'BDBM50167777'   
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
Triosephosphate isomerase


(Oryctolagus cuniculus)
BDBM50167777
PNG
(2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate |...)
Show SMILES ONC(=O)COP(O)(O)=O
Show InChI InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against rabbit muscle triose-phosphate isomerase


Bioorg Med Chem Lett 15: 2906-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.061
BindingDB Entry DOI: 10.7270/Q25M6589
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))
BDBM50167777
PNG
(2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate |...)
Show SMILES ONC(=O)COP(O)(O)=O
Show InChI InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



UMR 8182

Curated by ChEMBL


Assay Description
Inhibition of triosephosphate isomerase


Bioorg Med Chem Lett 17: 410-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.030
BindingDB Entry DOI: 10.7270/Q2639QK7
More data for this
Ligand-Target Pair
Triosephosphate isomerase


(Homo sapiens (Human))
BDBM50167777
PNG
(2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate |...)
Show SMILES ONC(=O)COP(O)(O)=O
Show InChI InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Triosephosphate isomerase


Bioorg Med Chem Lett 21: 2679-82 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.066
BindingDB Entry DOI: 10.7270/Q20C4W2K
More data for this
Ligand-Target Pair