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BDBM35395 2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid::2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid::5-(1-tert-butoxycarbonyl-4-piperidyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid::5-[1-(tert-butoxycarbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid::MLS000045832::SMR000028229::cid_3240935

SMILES: COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O

InChI Key: InChIKey=HOLHRSVQINIRCK-UHFFFAOYSA-N

Data: 9 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 35395   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM35395
PNG
(2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy...)
Show SMILES COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)33-23(31)27-11-9-16(10-12-27)21-18(22(29)30)14-28-20(25-21)13-19(26-28)15-5-7-17(32-4)8-6-15/h5-8,13-14,16H,9-12H2,1-4H3,(H,29,30)
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n/an/a 2.69E+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))
BDBM35395
PNG
(2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy...)
Show SMILES COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)33-23(31)27-11-9-16(10-12-27)21-18(22(29)30)14-28-20(25-21)13-19(26-28)15-5-7-17(32-4)8-6-15/h5-8,13-14,16H,9-12H2,1-4H3,(H,29,30)
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n/an/a 3.63E+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
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM35395
PNG
(2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy...)
Show SMILES COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)33-23(31)27-11-9-16(10-12-27)21-18(22(29)30)14-28-20(25-21)13-19(26-28)15-5-7-17(32-4)8-6-15/h5-8,13-14,16H,9-12H2,1-4H3,(H,29,30)
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n/an/a 3.63E+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))
BDBM35395
PNG
(2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy...)
Show SMILES COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)33-23(31)27-11-9-16(10-12-27)21-18(22(29)30)14-28-20(25-21)13-19(26-28)15-5-7-17(32-4)8-6-15/h5-8,13-14,16H,9-12H2,1-4H3,(H,29,30)
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n/an/a 3.39E+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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM35395
PNG
(2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy...)
Show SMILES COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)33-23(31)27-11-9-16(10-12-27)21-18(22(29)30)14-28-20(25-21)13-19(26-28)15-5-7-17(32-4)8-6-15/h5-8,13-14,16H,9-12H2,1-4H3,(H,29,30)
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n/an/a 7.23E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35395
PNG
(2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy...)
Show SMILES COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)33-23(31)27-11-9-16(10-12-27)21-18(22(29)30)14-28-20(25-21)13-19(26-28)15-5-7-17(32-4)8-6-15/h5-8,13-14,16H,9-12H2,1-4H3,(H,29,30)
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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
MKP-3


(Rattus norvegicus)
BDBM35395
PNG
(2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy...)
Show SMILES COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)33-23(31)27-11-9-16(10-12-27)21-18(22(29)30)14-28-20(25-21)13-19(26-28)15-5-7-17(32-4)8-6-15/h5-8,13-14,16H,9-12H2,1-4H3,(H,29,30)
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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 phosphatase Cdc25B


(Homo sapiens (Human))
BDBM35395
PNG
(2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy...)
Show SMILES COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)33-23(31)27-11-9-16(10-12-27)21-18(22(29)30)14-28-20(25-21)13-19(26-28)15-5-7-17(32-4)8-6-15/h5-8,13-14,16H,9-12H2,1-4H3,(H,29,30)
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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 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2125R2H
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM35395
PNG
(2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy...)
Show SMILES COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)33-23(31)27-11-9-16(10-12-27)21-18(22(29)30)14-28-20(25-21)13-19(26-28)15-5-7-17(32-4)8-6-15/h5-8,13-14,16H,9-12H2,1-4H3,(H,29,30)
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n/an/an/an/a>5.30E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM35395
PNG
(2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy...)
Show SMILES COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)33-23(31)27-11-9-16(10-12-27)21-18(22(29)30)14-28-20(25-21)13-19(26-28)15-5-7-17(32-4)8-6-15/h5-8,13-14,16H,9-12H2,1-4H3,(H,29,30)
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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