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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 = 'BDBM74462'   
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))
BDBM74462
PNG
(2-morpholinoethyl-(2-phenyl-4-tosyl-oxazol-5-yl)am...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(oc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C22H25N3O4S/c1-17-7-9-19(10-8-17)30(26,27)22-21(23-11-12-25-13-15-28-16-14-25)29-20(24-22)18-5-3-2-4-6-18/h2-10,23H,11-16H2,1H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 7.53E+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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74462
PNG
(2-morpholinoethyl-(2-phenyl-4-tosyl-oxazol-5-yl)am...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(oc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C22H25N3O4S/c1-17-7-9-19(10-8-17)30(26,27)22-21(23-11-12-25-13-15-28-16-14-25)29-20(24-22)18-5-3-2-4-6-18/h2-10,23H,11-16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

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