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BDBM50167777 2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate::CHEMBL371668::Phosphoglycolohydroxamic Acid

SMILES: ONC(=O)COP(O)(O)=O

InChI Key: InChIKey=BAXHHWZKQZIJID-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50167777   
Target
(Institution)
LigandTarget
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
Fructose-bisphosphate aldolase class 2


(Escherichia coli (strain K12))
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

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
10n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class II FBP aldolase from Escherichia coli


Bioorg Med Chem Lett 15: 5375-7 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Fructose-bisphosphate aldolase A


(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

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class I FBP aldolase from rabbit


Bioorg Med Chem Lett 15: 5375-7 (2005)

More data for this
Ligand-Target Pair
Triosephosphate isomerase (TIM)


(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)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem
AffyNet 
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)

More data for this
Ligand-Target Pair
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
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem
AffyNet 
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)

More data for this
Ligand-Target Pair
Triosephosphate isomerase (TIM)


(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)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem
AffyNet 
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)

More data for this
Ligand-Target Pair