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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 = 'BDBM46271'   
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))
BDBM46271
PNG
(2-[2-chloro-6-ethoxy-4-[(E)-[2-(4-fluoroanilino)-4...)
Show SMILES CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1OCC |w:12.11,c:24|
Show InChI InChI=1S/C22H20ClFN2O5S/c1-3-29-17-10-13(9-16(23)20(17)31-12-19(27)30-4-2)11-18-21(28)26-22(32-18)25-15-7-5-14(24)6-8-15/h5-11H,3-4,12H2,1-2H3,(H,25,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.42E+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, 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))
BDBM46271
PNG
(2-[2-chloro-6-ethoxy-4-[(E)-[2-(4-fluoroanilino)-4...)
Show SMILES CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1OCC |w:12.11,c:24|
Show InChI InChI=1S/C22H20ClFN2O5S/c1-3-29-17-10-13(9-16(23)20(17)31-12-19(27)30-4-2)11-18-21(28)26-22(32-18)25-15-7-5-14(24)6-8-15/h5-11H,3-4,12H2,1-2H3,(H,25,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.48E+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 (2010)


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