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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 = 'BDBM74516'   
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))
BDBM74516
PNG
(4-hydroxy-N-[[4-[2-(3-nitroanilino)-2-oxoethoxy]ph...)
Show SMILES Oc1ccc(cc1)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H18N4O6/c27-19-8-6-16(7-9-19)22(29)25-23-13-15-4-10-20(11-5-15)32-14-21(28)24-17-2-1-3-18(12-17)26(30)31/h1-13,27H,14H2,(H,24,28)(H,25,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.76E+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))
BDBM74516
PNG
(4-hydroxy-N-[[4-[2-(3-nitroanilino)-2-oxoethoxy]ph...)
Show SMILES Oc1ccc(cc1)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H18N4O6/c27-19-8-6-16(7-9-19)22(29)25-23-13-15-4-10-20(11-5-15)32-14-21(28)24-17-2-1-3-18(12-17)26(30)31/h1-13,27H,14H2,(H,24,28)(H,25,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 6.47E+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