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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 = 'BDBM74455'   
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))
BDBM74455
PNG
(MLS000046764 | N-[3-(2-ethyl-1-piperidinyl)propyl]...)
Show SMILES CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
Show InChI InChI=1S/C23H31FN2O4S/c1-2-19-9-5-6-14-26(19)15-7-13-25-23(27)22-12-11-20(30-22)17-31(28,29)16-18-8-3-4-10-21(18)24/h3-4,8,10-12,19H,2,5-7,9,13-17H2,1H3,(H,25,27)
PDB

UniProtKB/SwissProt

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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))
BDBM74455
PNG
(MLS000046764 | N-[3-(2-ethyl-1-piperidinyl)propyl]...)
Show SMILES CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
Show InChI InChI=1S/C23H31FN2O4S/c1-2-19-9-5-6-14-26(19)15-7-13-25-23(27)22-12-11-20(30-22)17-31(28,29)16-18-8-3-4-10-21(18)24/h3-4,8,10-12,19H,2,5-7,9,13-17H2,1H3,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair