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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 = 'BDBM46281'   
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))
BDBM46281
PNG
(2-[4-[(Z)-[2-(4-fluoroanilino)-4-keto-2-thiazolin-...)
Show SMILES COC(=O)COc1ccc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1 |w:10.9,c:22|
Show InChI InChI=1S/C19H15FN2O4S/c1-25-17(23)11-26-15-8-2-12(3-9-15)10-16-18(24)22-19(27-16)21-14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.39E+3n/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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M9073J
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46281
PNG
(2-[4-[(Z)-[2-(4-fluoroanilino)-4-keto-2-thiazolin-...)
Show SMILES COC(=O)COc1ccc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1 |w:10.9,c:22|
Show InChI InChI=1S/C19H15FN2O4S/c1-25-17(23)11-26-15-8-2-12(3-9-15)10-16-18(24)22-19(27-16)21-14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.49E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2QZ28FP
More data for this
Ligand-Target Pair