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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 = 'BDBM74452'   
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))
BDBM74452
PNG
(MLS000042727 | N-(3-acetylphenyl)-2-[(3-methylsulf...)
Show SMILES CSc1nsc(SCC(=O)Nc2cccc(c2)C(C)=O)n1
Show InChI InChI=1S/C13H13N3O2S3/c1-8(17)9-4-3-5-10(6-9)14-11(18)7-20-13-15-12(19-2)16-21-13/h3-6H,7H2,1-2H3,(H,14,18)
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))
BDBM74452
PNG
(MLS000042727 | N-(3-acetylphenyl)-2-[(3-methylsulf...)
Show SMILES CSc1nsc(SCC(=O)Nc2cccc(c2)C(C)=O)n1
Show InChI InChI=1S/C13H13N3O2S3/c1-8(17)9-4-3-5-10(6-9)14-11(18)7-20-13-15-12(19-2)16-21-13/h3-6H,7H2,1-2H3,(H,14,18)
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