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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 131.0
BDBM50297823

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Fumarate hydratase, mitochondrial


(Sus scrofa)
BDBM50297823
PNG
((2S,3S)-Aziridine-2,3-dicarboxylic acid | CHEMBL53...)
Show SMILES OC(=O)[C@H]1N[C@@H]1C(O)=O
Show InChI InChI=1S/C4H5NO4/c6-3(7)1-2(5-1)4(8)9/h1-2,5H,(H,6,7)(H,8,9)/t1-,2-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
80n/an/an/an/an/an/an/an/a



Liverpool John Moores University

Curated by ChEMBL


Assay Description
Inhibition of pig heart fumarase


Eur J Med Chem 44: 3373-87 (2009)


Article DOI: 10.1016/j.ejmech.2009.05.013
BindingDB Entry DOI: 10.7270/Q2000247
More data for this
Ligand-Target Pair
Aspartase


(Escherichia coli)
BDBM50297823
PNG
((2S,3S)-Aziridine-2,3-dicarboxylic acid | CHEMBL53...)
Show SMILES OC(=O)[C@H]1N[C@@H]1C(O)=O
Show InChI InChI=1S/C4H5NO4/c6-3(7)1-2(5-1)4(8)9/h1-2,5H,(H,6,7)(H,8,9)/t1-,2-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.50E+4n/an/an/an/an/an/an/an/a



Liverpool John Moores University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli aspartase


Eur J Med Chem 44: 3373-87 (2009)


Article DOI: 10.1016/j.ejmech.2009.05.013
BindingDB Entry DOI: 10.7270/Q2000247
More data for this
Ligand-Target Pair