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BDBM40084 4-(2,5-dimethyl-1-pyrrolyl)-3-methylbenzoic acid::4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid::4-(2,5-dimethylpyrrol-1-yl)-3-methyl-benzoic acid::4-(2,5-dimethylpyrrol-1-yl)-3-methylbenzoic acid::MLS000099043::SMR000070457::cid_776845

SMILES: Cc1ccc(C)n1-c1ccc(cc1C)C(O)=O

InChI Key: InChIKey=WFLCJVLXABNRGL-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 40084   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM40084
PNG
(4-(2,5-dimethyl-1-pyrrolyl)-3-methylbenzoic acid |...)
Show SMILES Cc1ccc(C)n1-c1ccc(cc1C)C(O)=O |(3.08,3.19,;4.54,3.66,;5.02,5.13,;6.56,5.13,;7.04,3.66,;8.5,3.19,;5.79,2.76,;5.79,1.22,;7.12,.45,;7.12,-1.09,;5.79,-1.86,;4.46,-1.09,;4.46,.45,;3.12,1.22,;5.79,-3.4,;7.12,-4.17,;4.46,-4.17,)|
Show InChI InChI=1S/C14H15NO2/c1-9-8-12(14(16)17)6-7-13(9)15-10(2)4-5-11(15)3/h4-8H,1-3H3,(H,16,17)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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MCE
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 7.53E+3n/an/an/an/an/an/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/Q2QJ7FQ3
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM40084
PNG
(4-(2,5-dimethyl-1-pyrrolyl)-3-methylbenzoic acid |...)
Show SMILES Cc1ccc(C)n1-c1ccc(cc1C)C(O)=O |(3.08,3.19,;4.54,3.66,;5.02,5.13,;6.56,5.13,;7.04,3.66,;8.5,3.19,;5.79,2.76,;5.79,1.22,;7.12,.45,;7.12,-1.09,;5.79,-1.86,;4.46,-1.09,;4.46,.45,;3.12,1.22,;5.79,-3.4,;7.12,-4.17,;4.46,-4.17,)|
Show InChI InChI=1S/C14H15NO2/c1-9-8-12(14(16)17)6-7-13(9)15-10(2)4-5-11(15)3/h4-8H,1-3H3,(H,16,17)
KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 8.59E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM40084
PNG
(4-(2,5-dimethyl-1-pyrrolyl)-3-methylbenzoic acid |...)
Show SMILES Cc1ccc(C)n1-c1ccc(cc1C)C(O)=O |(3.08,3.19,;4.54,3.66,;5.02,5.13,;6.56,5.13,;7.04,3.66,;8.5,3.19,;5.79,2.76,;5.79,1.22,;7.12,.45,;7.12,-1.09,;5.79,-1.86,;4.46,-1.09,;4.46,.45,;3.12,1.22,;5.79,-3.4,;7.12,-4.17,;4.46,-4.17,)|
Show InChI InChI=1S/C14H15NO2/c1-9-8-12(14(16)17)6-7-13(9)15-10(2)4-5-11(15)3/h4-8H,1-3H3,(H,16,17)
PDB

KEGG

UniProtKB/TrEMBL

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MCE
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 5.94E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM40084
PNG
(4-(2,5-dimethyl-1-pyrrolyl)-3-methylbenzoic acid |...)
Show SMILES Cc1ccc(C)n1-c1ccc(cc1C)C(O)=O |(3.08,3.19,;4.54,3.66,;5.02,5.13,;6.56,5.13,;7.04,3.66,;8.5,3.19,;5.79,2.76,;5.79,1.22,;7.12,.45,;7.12,-1.09,;5.79,-1.86,;4.46,-1.09,;4.46,.45,;3.12,1.22,;5.79,-3.4,;7.12,-4.17,;4.46,-4.17,)|
Show InChI InChI=1S/C14H15NO2/c1-9-8-12(14(16)17)6-7-13(9)15-10(2)4-5-11(15)3/h4-8H,1-3H3,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 760n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GWX
More data for this
Ligand-Target Pair