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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 = 'BDBM61645'   
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))
BDBM61645
PNG
(3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...)
Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1
Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(26)27)10-5-11-23-19(25)17(29-21(23)28)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)/b17-12+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.10E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2QZ28FP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM61645
PNG
(3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...)
Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1
Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(26)27)10-5-11-23-19(25)17(29-21(23)28)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)/b17-12+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.26E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M9073J
More data for this
Ligand-Target Pair