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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 1' and Ligand = 'BDBM35364'   
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 1


(Homo sapiens (Human))
BDBM35364
PNG
(MLS000079944 | SMR000040944 | cid_659878)
Show SMILES COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1
Show InChI InChI=1S/C26H21N5O3/c1-16-27-24-22(26(32)30(16)14-17-9-11-18(33-2)12-10-17)23-25(31(24)15-19-6-5-13-34-19)29-21-8-4-3-7-20(21)28-23/h3-13H,14-15H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.70E+4n/an/an/an/a7.022



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769WQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))
BDBM35364
PNG
(MLS000079944 | SMR000040944 | cid_659878)
Show SMILES COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1
Show InChI InChI=1S/C26H21N5O3/c1-16-27-24-22(26(32)30(16)14-17-9-11-18(33-2)12-10-17)23-25(31(24)15-19-6-5-13-34-19)29-21-8-4-3-7-20(21)28-23/h3-13H,14-15H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.81E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 Phosphatase Dose Response Confirmation and Secondary Selectivity/Specificity Assay has been Developed and Run at the University of Pittsbur...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2K64GGJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))
BDBM35364
PNG
(MLS000079944 | SMR000040944 | cid_659878)
Show SMILES COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1
Show InChI InChI=1S/C26H21N5O3/c1-16-27-24-22(26(32)30(16)14-17-9-11-18(33-2)12-10-17)23-25(31(24)15-19-6-5-13-34-19)29-21-8-4-3-7-20(21)28-23/h3-13H,14-15H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.16E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2QR4VH9
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))
BDBM35364
PNG
(MLS000079944 | SMR000040944 | cid_659878)
Show SMILES COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1
Show InChI InChI=1S/C26H21N5O3/c1-16-27-24-22(26(32)30(16)14-17-9-11-18(33-2)12-10-17)23-25(31(24)15-19-6-5-13-34-19)29-21-8-4-3-7-20(21)28-23/h3-13H,14-15H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.20E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2VH5M71
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 1


(Homo sapiens (Human))
BDBM35364
PNG
(MLS000079944 | SMR000040944 | cid_659878)
Show SMILES COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1
Show InChI InChI=1S/C26H21N5O3/c1-16-27-24-22(26(32)30(16)14-17-9-11-18(33-2)12-10-17)23-25(31(24)15-19-6-5-13-34-19)29-21-8-4-3-7-20(21)28-23/h3-13H,14-15H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 2.20E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q20863PV
More data for this
Ligand-Target Pair