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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 22' and Ligand = 'BDBM54791'   
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))
BDBM54791
PNG
(5-chloranyl-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]...)
Show SMILES COc1ccc(Cl)cc1C(=O)Nc1cccc(c1)-c1ccc2nncn2n1
Show InChI InChI=1S/C19H14ClN5O2/c1-27-17-7-5-13(20)10-15(17)19(26)22-14-4-2-3-12(9-14)16-6-8-18-23-21-11-25(18)24-16/h2-11H,1H3,(H,22,26)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PCBioAssay
n/an/a 1.60E+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))
BDBM54791
PNG
(5-chloranyl-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]...)
Show SMILES COc1ccc(Cl)cc1C(=O)Nc1cccc(c1)-c1ccc2nncn2n1
Show InChI InChI=1S/C19H14ClN5O2/c1-27-17-7-5-13(20)10-15(17)19(26)22-14-4-2-3-12(9-14)16-6-8-18-23-21-11-25(18)24-16/h2-11H,1H3,(H,22,26)
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
PCBioAssay
n/an/a 3.85E+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))
BDBM54791
PNG
(5-chloranyl-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]...)
Show SMILES COc1ccc(Cl)cc1C(=O)Nc1cccc(c1)-c1ccc2nncn2n1
Show InChI InChI=1S/C19H14ClN5O2/c1-27-17-7-5-13(20)10-15(17)19(26)22-14-4-2-3-12(9-14)16-6-8-18-23-21-11-25(18)24-16/h2-11H,1H3,(H,22,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.08E+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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2VM49Q7
More data for this
Ligand-Target Pair