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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Protein tyrosine phosphatase type IVA 3' and Ligand = 'BDBM396097'   
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
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM396097
PNG
(US10308663, JMS-631-053)
Show SMILES N=C1c2sc(cc2C(=O)NC1=O)-c1ccccc1
Show InChI InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The in vitro biochemical evaluation of all compounds was carried out using recombinant human PTP4A3, overexpressed as a His6-tag fusion protein in E....


Bioorg Med Chem Lett 17: 4664-9 (2007)


BindingDB Entry DOI: 10.7270/Q20867N2
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM396097
PNG
(US10308663, JMS-631-053)
Show SMILES N=C1c2sc(cc2C(=O)NC1=O)-c1ccccc1
Show InChI InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human His6-tagged PRL-3 expressed in Escherichia coli using DiFMUP as substrate incubated for 30 mins by fluorescence based...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127981
BindingDB Entry DOI: 10.7270/Q2NK3JSF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM396097
PNG
(US10308663, JMS-631-053)
Show SMILES N=C1c2sc(cc2C(=O)NC1=O)-c1ccccc1
Show InChI InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-6-tagged PTP4A3 expressed in Escherichia coli assessed as reduction in hydrolysis using DIFMUP as substrate incub...


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM396097
PNG
(US10308663, JMS-631-053)
Show SMILES N=C1c2sc(cc2C(=O)NC1=O)-c1ccccc1
Show InChI InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 84n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human PTP4A3


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128167
BindingDB Entry DOI: 10.7270/Q23X8BDD
More data for this
Ligand-Target Pair