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BDBM32133 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminoindene-1,3-dione::2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminoindene-1,3-dione::2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]indene-1,3-dione::2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]indane-1,3-quinone::MLS000105950::SMR000102924::cid_767530

SMILES: Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C

InChI Key: InChIKey=KATANIKYTPGMHE-UHFFFAOYSA-N

Data: 19 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 19 hits for monomerid = 32133   
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))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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n/an/a 2.06E+4n/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
MKP-3


(Rattus norvegicus)
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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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)


Article DOI: 10.1021/cb400150c
BindingDB Entry DOI: 10.7270/Q2W66J6B
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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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 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)


Article DOI: 10.1021/cb300623a
BindingDB Entry DOI: 10.7270/Q20863PV
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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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 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)


Article DOI: 10.1021/cb400075f
BindingDB Entry DOI: 10.7270/Q2VH5M71
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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n/an/a 765n/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
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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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))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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n/an/a 5.12E+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 Protein Phosphatase 1


(Homo sapiens (Human))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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n/an/a 2.62E+4n/an/an/an/an/an/a



University of Pittsburgh

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)


Article DOI: 10.1111/cbdd.12105
BindingDB Entry DOI: 10.7270/Q2QR4VH9
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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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 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)


Article DOI: 10.1021/cb300729y
BindingDB Entry DOI: 10.7270/Q2M043S8
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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n/an/a 8.19E+3n/an/an/an/an/an/a



University of Pittsburgh

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)


Article DOI: 10.1021/cc050016r
BindingDB Entry DOI: 10.7270/Q2G73C2Z
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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n/an/a 3.63E+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))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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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 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))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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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))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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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 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))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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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 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)
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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n/an/a 1.98E+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))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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n/an/a 4.38E+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/Q28K77GS
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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n/an/a 1.37E+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
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM32133
PNG
(2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4...)
Show SMILES Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H15N3O3/c1-12-16(20(26)23(22(12)2)13-8-4-3-5-9-13)21-17-18(24)14-10-6-7-11-15(14)19(17)25/h3-11H,1-2H3
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n/an/a 8.85E+3n/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