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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 22' and Ligand = 'BDBM75323'   
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))
BDBM75323
PNG
(2-[4-[[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]be...)
Show SMILES OC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C25H19ClN4O4S/c26-19-7-9-20(10-8-19)28-25-29-22(15-35-25)17-3-5-18(6-4-17)24(33)30-27-13-16-1-11-21(12-2-16)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32)
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n/an/a<1.24E+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))
BDBM75323
PNG
(2-[4-[[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]be...)
Show SMILES OC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C25H19ClN4O4S/c26-19-7-9-20(10-8-19)28-25-29-22(15-35-25)17-3-5-18(6-4-17)24(33)30-27-13-16-1-11-21(12-2-16)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32)
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UniProtKB/SwissProt

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UniChem

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n/an/a<1.24E+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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM75323
PNG
(2-[4-[[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]be...)
Show SMILES OC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C25H19ClN4O4S/c26-19-7-9-20(10-8-19)28-25-29-22(15-35-25)17-3-5-18(6-4-17)24(33)30-27-13-16-1-11-21(12-2-16)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 9.90E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2VM49Q7
More data for this
Ligand-Target Pair