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BDBM31703 3-(2,5-dimethyl-1-pyrrolyl)benzoic acid::3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid::3-(2,5-dimethylpyrrol-1-yl)benzoic acid::MLS000053036::SMR000068999::cid_213329

SMILES: Cc1ccc(C)n1-c1cccc(c1)C(O)=O

InChI Key: InChIKey=NJPUZFUOUGTNOV-UHFFFAOYSA-N

Data: 14 IC50  2 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 16 hits for monomerid = 31703   
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 70kDa Protein 1


(Homo sapiens (Human))
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/a 4.83E+4n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...


PubChem Bioassay (2008)


Article DOI: 10.1016/S0893-133X(98)00099-2
BindingDB Entry DOI: 10.7270/Q2S180TW
More data for this
Ligand-Target Pair
heat shock 70kDa protein 8 isoform 1


(Homo sapiens (Human))
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/a 9.99E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2007)


Article DOI: 10.1021/cb400371r
BindingDB Entry DOI: 10.7270/Q2MS3R62
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/a 1.69E+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))
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/a 1.69E+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)
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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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
Heat Shock 70kDa Protein 1


(Homo sapiens (Human))
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/a 1.85E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2RF5SF5
More data for this
Ligand-Target Pair
Dual Specificity Protein Phosphatase 1


(Homo sapiens (Human))
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/a 1.71E+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)
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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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)
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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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 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
Estrogen receptor


(Homo sapiens (Human))
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/an/an/a 2.04E+7n/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F47MJ9
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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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 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
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH).


(Homo sapiens (Human))
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/an/an/a 4.95E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GBT
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/a 1.30E+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, C...


PubChem Bioassay (2008)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q2RJ4GWX
More data for this
Ligand-Target Pair
MKP-3


(Rattus norvegicus)
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/a 1.00E+4n/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))
BDBM31703
PNG
(3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...)
Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
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n/an/a 1.20E+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