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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 = 'BDBM61758'   
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))
BDBM61758
PNG
(3-[(5Z)-4-keto-5-[2-keto-1-[2-keto-2-(p-anisidino)...)
Show SMILES COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CCC(O)=O)C3=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H19N3O6S2/c1-32-14-8-6-13(7-9-14)24-17(27)12-26-16-5-3-2-4-15(16)19(21(26)30)20-22(31)25(23(33)34-20)11-10-18(28)29/h2-9H,10-12H2,1H3,(H,24,27)(H,28,29)/b20-19-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.11E+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/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM61758
PNG
(3-[(5Z)-4-keto-5-[2-keto-1-[2-keto-2-(p-anisidino)...)
Show SMILES COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CCC(O)=O)C3=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H19N3O6S2/c1-32-14-8-6-13(7-9-14)24-17(27)12-26-16-5-3-2-4-15(16)19(21(26)30)20-22(31)25(23(33)34-20)11-10-18(28)29/h2-9H,10-12H2,1H3,(H,24,27)(H,28,29)/b20-19-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.38E+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