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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 6' and Ligand = 'BDBM35373'   
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
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35373
PNG
(1-butyl-2-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene...)
Show SMILES CCCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C21H25N3O5S2/c1-4-5-10-24-18-9-7-15(31(22,26)27)12-17(18)23-21(24)30-13-19(25)16-8-6-14(28-2)11-20(16)29-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H2,22,26,27)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35373
PNG
(1-butyl-2-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene...)
Show SMILES CCCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C21H25N3O5S2/c1-4-5-10-24-18-9-7-15(31(22,26)27)12-17(18)23-21(24)30-13-19(25)16-8-6-14(28-2)11-20(16)29-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H2,22,26,27)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2G73C2Z
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Rattus norvegicus)
BDBM35373
PNG
(1-butyl-2-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene...)
Show SMILES CCCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C21H25N3O5S2/c1-4-5-10-24-18-9-7-15(31(22,26)27)12-17(18)23-21(24)30-13-19(25)16-8-6-14(28-2)11-20(16)29-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H2,22,26,27)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2M043S8
More data for this
Ligand-Target Pair