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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 = 'BDBM74459'   
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))
BDBM74459
PNG
(2-cycloheptyl-3-keto-3-(tetrahydrofurfurylamino)pr...)
Show SMILES COC(=O)C(C1CCCCCC1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C16H27NO4/c1-20-16(19)14(12-7-4-2-3-5-8-12)15(18)17-11-13-9-6-10-21-13/h12-14H,2-11H2,1H3,(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74459
PNG
(2-cycloheptyl-3-keto-3-(tetrahydrofurfurylamino)pr...)
Show SMILES COC(=O)C(C1CCCCCC1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C16H27NO4/c1-20-16(19)14(12-7-4-2-3-5-8-12)15(18)17-11-13-9-6-10-21-13/h12-14H,2-11H2,1H3,(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+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/Q24748BK
More data for this
Ligand-Target Pair