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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 1' and Ligand = 'BDBM35415'   
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))
BDBM35415
PNG
(1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(3-fl...)
Show SMILES Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2)-c1cccc(F)c1
Show InChI InChI=1S/C24H27FN4O3/c1-16-20(6-7-23(30)28-10-8-24(9-11-28)31-12-13-32-24)17(2)29-22(26-16)15-21(27-29)18-4-3-5-19(25)14-18/h3-5,14-15H,6-13H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+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))
BDBM35415
PNG
(1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(3-fl...)
Show SMILES Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2)-c1cccc(F)c1
Show InChI InChI=1S/C24H27FN4O3/c1-16-20(6-7-23(30)28-10-8-24(9-11-28)31-12-13-32-24)17(2)29-22(26-16)15-21(27-29)18-4-3-5-19(25)14-18/h3-5,14-15H,6-13H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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-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))
BDBM35415
PNG
(1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(3-fl...)
Show SMILES Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2)-c1cccc(F)c1
Show InChI InChI=1S/C24H27FN4O3/c1-16-20(6-7-23(30)28-10-8-24(9-11-28)31-12-13-32-24)17(2)29-22(26-16)15-21(27-29)18-4-3-5-19(25)14-18/h3-5,14-15H,6-13H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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-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))
BDBM35415
PNG
(1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(3-fl...)
Show SMILES Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2)-c1cccc(F)c1
Show InChI InChI=1S/C24H27FN4O3/c1-16-20(6-7-23(30)28-10-8-24(9-11-28)31-12-13-32-24)17(2)29-22(26-16)15-21(27-29)18-4-3-5-19(25)14-18/h3-5,14-15H,6-13H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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-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