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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 6' and Ligand = 'BDBM35363'   
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)
BDBM35363
PNG
((2-butoxyphenyl)-(diphenylphosphorylmethyl)phosphi...)
Show SMILES CCCCOc1ccccc1P(O)(=O)CP(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26O4P2/c1-2-3-18-27-22-16-10-11-17-23(22)29(25,26)19-28(24,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17H,2-3,18-19H2,1H3,(H,25,26)
PDB
MMDB

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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)
BDBM35363
PNG
((2-butoxyphenyl)-(diphenylphosphorylmethyl)phosphi...)
Show SMILES CCCCOc1ccccc1P(O)(=O)CP(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26O4P2/c1-2-3-18-27-22-16-10-11-17-23(22)29(25,26)19-28(24,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17H,2-3,18-19H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-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 (2009)


BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair