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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 = 'BDBM74453'   
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))
BDBM74453
PNG
(4-(7-methoxy-4-phenyl-2-quinolinyl)morpholine;oxal...)
Show SMILES COc1ccc2c(cc(nc2c1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c1-23-16-7-8-17-18(15-5-3-2-4-6-15)14-20(21-19(17)13-16)22-9-11-24-12-10-22/h2-8,13-14H,9-12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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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))
BDBM74453
PNG
(4-(7-methoxy-4-phenyl-2-quinolinyl)morpholine;oxal...)
Show SMILES COc1ccc2c(cc(nc2c1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c1-23-16-7-8-17-18(15-5-3-2-4-6-15)14-20(21-19(17)13-16)22-9-11-24-12-10-22/h2-8,13-14H,9-12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

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