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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 237.2
BDBM50441457

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

Found 1 hit 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
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM50441457
PNG
(CHEMBL1358072)
Show SMILES CC(=O)Nc1c(C)cc(OCC(O)=O)cc1C
Show InChI InChI=1S/C12H15NO4/c1-7-4-10(17-6-11(15)16)5-8(2)12(7)13-9(3)14/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.32E+4n/an/an/an/an/an/an/an/a



Saint John's University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human GST-tagged LMW-PTP-B expressed in Escherichia coli JM 109 cells using p-nitrophenyl phosphate as substrate after 1...


Bioorg Med Chem Lett 23: 5912-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.079
BindingDB Entry DOI: 10.7270/Q2377B50
More data for this
Ligand-Target Pair