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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 22' and Ligand = 'BDBM74444'   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74444
PNG
(4-Isopropyl-4H-furo[3,2-b]pyrrole-5-carboxylic aci...)
Show SMILES CC(C)n1c(cc2occc12)C(=O)OCC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C20H20N2O6/c1-12(2)22-14-5-6-25-17(14)8-15(22)20(24)26-10-19(23)21-9-13-3-4-16-18(7-13)28-11-27-16/h3-8,12H,9-11H2,1-2H3,(H,21,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74444
PNG
(4-Isopropyl-4H-furo[3,2-b]pyrrole-5-carboxylic aci...)
Show SMILES CC(C)n1c(cc2occc12)C(=O)OCC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C20H20N2O6/c1-12(2)22-14-5-6-25-17(14)8-15(22)20(24)26-10-19(23)21-9-13-3-4-16-18(7-13)28-11-27-16/h3-8,12H,9-11H2,1-2H3,(H,21,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair