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BDBM40211 5-(tosylmethyl)-2-furoic acid::5-[(4-methylphenyl)sulfonylmethyl]-2-furancarboxylic acid::5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxylic acid::MLS000521988::SMR000132396::cid_9551108

SMILES: Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O

InChI Key: InChIKey=VNPAVLDSIONFMU-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 40211   
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))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
PDB

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n/an/a 1.81E+4n/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
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
PDB
MMDB

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n/an/a 1.60E+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/Q29C6VTK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
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n/an/a 23n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
PDB

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n/an/a 5.22E+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/Q2WD3Z0J
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
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n/an/a 2.18E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2FQ9V6B
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 2.34E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
PDB
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n/an/a 1.03E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2959G44
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
PDB
MMDB

NCI pathway
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n/an/a 776n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2T43RPN
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
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n/an/a>8.00E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM40211
PNG
(5-(tosylmethyl)-2-furoic acid | 5-[(4-methylphenyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
Show InChI InChI=1S/C13H12O5S/c1-9-2-5-11(6-3-9)19(16,17)8-10-4-7-12(18-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 3.67E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair