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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 = 'BDBM74445'   
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))
BDBM74445
PNG
(2-[2-(4-chloroanilino)-2-keto-ethyl]sulfinyl-N-(is...)
Show SMILES Clc1ccc(NC(=O)CS(=O)CC(=O)NCC2OCCc3ccccc23)cc1
Show InChI InChI=1S/C20H21ClN2O4S/c21-15-5-7-16(8-6-15)23-20(25)13-28(26)12-19(24)22-11-18-17-4-2-1-3-14(17)9-10-27-18/h1-8,18H,9-13H2,(H,22,24)(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
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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))
BDBM74445
PNG
(2-[2-(4-chloroanilino)-2-keto-ethyl]sulfinyl-N-(is...)
Show SMILES Clc1ccc(NC(=O)CS(=O)CC(=O)NCC2OCCc3ccccc23)cc1
Show InChI InChI=1S/C20H21ClN2O4S/c21-15-5-7-16(8-6-15)23-20(25)13-28(26)12-19(24)22-11-18-17-4-2-1-3-14(17)9-10-27-18/h1-8,18H,9-13H2,(H,22,24)(H,23,25)
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