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BDBM32025 MLS000071484::SMR000038306::cid_5389004

SMILES: O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2

InChI Key: InChIKey=LADFDDFQGSYKBA-MFOYZWKCSA-N

Data: 23 IC50

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 23 hits for monomerid = 32025   
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
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 6.41E+3n/an/an/an/a7.423



Emory University

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
protein artemis isoform a


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 3.64E+3n/an/an/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 CA...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2MC8XP5
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 2.76E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Pittsburgh

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)


Article DOI: 10.1002/cbic.201200521
BindingDB Entry DOI: 10.7270/Q2K64GGJ
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 1.13E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase Secondary Selectivity Assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part...


PubChem Bioassay (2006)


Article DOI: 10.1074/jbc.M112.414516
BindingDB Entry DOI: 10.7270/Q2FF3QRT
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 1.41E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The MKP-3 Phosphatase Secondary Selectivity Assay has been developed and run at the University of Pittsburgh Molecular Screening Center (PMLSC) part ...


PubChem Bioassay (2006)


Article DOI: 10.1016/j.bioorg.2013.01.001
BindingDB Entry DOI: 10.7270/Q29P301W
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a>4.00E+4n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
LYP, a lymphocyte specific protein tyrosine phosphatase that plays a critical regulatory role in T cell receptor signaling, is encoded by the PTPN22 ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2Z899TZ
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT has been developed to assess actives that were identified in the Cdc25B HTS ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc100073a
BindingDB Entry DOI: 10.7270/Q29K48M5
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 9.54E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response reproducibility assay has been developed to re-confirm actives that were identified in the Cdc2...


PubChem Bioassay (2007)


Article DOI: 10.1021/cc100076k
BindingDB Entry DOI: 10.7270/Q25T3HWF
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 9.53E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the Uni...


PubChem Bioassay (2006)


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2BG2MCP
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 4.71E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in Catalase has been developed to assess actives that were identified in the Cdc25B HTS A...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2X928QK
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT with Catalase has been developed to assess actives that were identified in t...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SJ1J08
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 2.63E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in Beta-Mercaptoethanol (BME) has been developed to assess actives that were identified i...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NS0S8J
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 3.17E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment dose response assay in Glutathione (GSH) has been developed to assess actives that were identified in the Cdc...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2J101KZ
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2DB806H
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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University of Pittsburgh

Curated by PubChem BioAssay


Assay Description
The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q28K77GS
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 1.77E+4n/an/an/an/an/an/a



University of Pittsburgh

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
Kallikrein 5


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 4.94E+3n/an/an/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00607
BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a>1.00E+5n/an/an/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00536
BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a 5.37E+3n/an/an/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1111/cbdd.12356
BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM32025
PNG
(MLS000071484 | SMR000038306 | cid_5389004)
Show SMILES O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2
Show InChI InChI=1S/C19H22N4O/c24-18-6-5-15-3-1-2-4-16(15)17(18)9-20-19-10-21-7-8-22(11-19)14-23(12-19)13-21/h1-6,9,20H,7-8,10-14H2/b17-9-
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n/an/a>5.00E+4n/an/an/an/a7.022



University of Pittsburgh

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