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)	Ligand	Target/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	pH	Temp °C
Heat Shock 70kDa Protein 1 (Homo sapiens (Human))	BDBM31703 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	4.83E+4	n/a	n/a	n/a	n/a	7.0	23
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) BindingDB Entry DOI: 10.7270/Q2S180TW
					More data for this Ligand-Target Pair
heat shock 70kDa protein 8 isoform 1 (Homo sapiens (Human))	BDBM31703 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	9.99E+5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2MS3R62
					More data for this Ligand-Target Pair
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human))	BDBM31703 (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)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM31703 (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)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/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
MKP-3 (Rattus norvegicus)	BDBM31703 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/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
Heat Shock 70kDa Protein 1 (Homo sapiens (Human))	BDBM31703 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/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
MKP-3 (Rattus norvegicus)	BDBM31703 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM31703 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/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
Estrogen receptor (Homo sapiens (Human))	BDBM31703 (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)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.04E+7	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center 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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/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
nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human))	BDBM31703 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.95E+4	n/a	n/a	n/a	n/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 (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)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2RJ4GWX
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM31703 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2W66J6B
					More data for this Ligand-Target Pair
Dual Specificity Protein Phosphatase 1 (Homo sapiens (Human))	BDBM31703 (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)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.0	22
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