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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 = 'BDBM46272'   
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))
BDBM46272
PNG
(2-[2-ethoxy-6-iodanyl-4-[(E)-(4-oxidanylidene-2-ph...)
Show SMILES CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(I)c1OCC(O)=O |w:6.5,c:17|
Show InChI InChI=1S/C20H17IN2O5S/c1-2-27-15-9-12(8-14(21)18(15)28-11-17(24)25)10-16-19(26)23-20(29-16)22-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,24,25)(H,22,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.02E+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))
BDBM46272
PNG
(2-[2-ethoxy-6-iodanyl-4-[(E)-(4-oxidanylidene-2-ph...)
Show SMILES CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(I)c1OCC(O)=O |w:6.5,c:17|
Show InChI InChI=1S/C20H17IN2O5S/c1-2-27-15-9-12(8-14(21)18(15)28-11-17(24)25)10-16-19(26)23-20(29-16)22-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,24,25)(H,22,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.66E+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