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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 = 'BDBM61153'   
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))
BDBM61153
PNG
(3-[4-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H20N2O4S2/c1-14-7-9-15(10-8-14)12-18-20(26)24(22(29)30-18)11-3-6-19(25)23-17-5-2-4-16(13-17)21(27)28/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,23,25)(H,27,28)/b18-12-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.02E+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))
BDBM61153
PNG
(3-[4-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo...)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C22H20N2O4S2/c1-14-7-9-15(10-8-14)12-18-20(26)24(22(29)30-18)11-3-6-19(25)23-17-5-2-4-16(13-17)21(27)28/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,23,25)(H,27,28)/b18-12-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.90E+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, CA...


PubChem Bioassay (2010)


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