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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 = 'BDBM42235'   
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))
BDBM42235
PNG
(8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1
Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 8.58E+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, ...


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))
BDBM42235
PNG
(8-Allyl-2-oxo-2H-chromene-3-carboxylic acid [4-(5-...)
Show SMILES CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1
Show InChI InChI=1S/C23H20N4O5S2/c1-3-6-14-7-5-8-15-13-18(22(29)32-20(14)15)21(28)24-16-9-11-17(12-10-16)34(30,31)27-23-26-25-19(4-2)33-23/h3,5,7-13H,1,4,6H2,2H3,(H,24,28)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.43E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair