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BDBM54769 4-({2-bromo-4-[(2,5-dioxo-4-imidazolidinylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid::4-[[2-bromo-4-[(E)-(2,5-diketoimidazolidin-4-ylidene)methyl]-6-ethoxy-phenoxy]methyl]benzoic acid::4-[[2-bromo-4-[(E)-(2,5-dioxo-4-imidazolidinylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid::4-[[2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid::4-[[4-[(E)-[2,5-bis(oxidanylidene)imidazolidin-4-ylidene]methyl]-2-bromanyl-6-ethoxy-phenoxy]methyl]benzoic acid::MLS000690004::SMR000298732::cid_1334608

SMILES: CCOc1cc(\C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(cc1)C(O)=O

InChI Key: InChIKey=KALKZDFQSNIVEO-OVCLIPMQSA-N

Data: 7 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 7 hits for monomerid = 54769   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM54769
PNG
(4-({2-bromo-4-[(2,5-dioxo-4-imidazolidinylidene)me...)
Show SMILES CCOc1cc(\C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H17BrN2O6/c1-2-28-16-9-12(8-15-18(24)23-20(27)22-15)7-14(21)17(16)29-10-11-3-5-13(6-4-11)19(25)26/h3-9H,2,10H2,1H3,(H,25,26)(H2,22,23,24,27)/b15-8+
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n/an/a 4.85E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2VX0DZ6
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM54769
PNG
(4-({2-bromo-4-[(2,5-dioxo-4-imidazolidinylidene)me...)
Show SMILES CCOc1cc(\C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H17BrN2O6/c1-2-28-16-9-12(8-15-18(24)23-20(27)22-15)7-14(21)17(16)29-10-11-3-5-13(6-4-11)19(25)26/h3-9H,2,10H2,1H3,(H,25,26)(H2,22,23,24,27)/b15-8+
PDB

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n/an/a 4.78E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2GQ6W6X
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM54769
PNG
(4-({2-bromo-4-[(2,5-dioxo-4-imidazolidinylidene)me...)
Show SMILES CCOc1cc(\C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H17BrN2O6/c1-2-28-16-9-12(8-15-18(24)23-20(27)22-15)7-14(21)17(16)29-10-11-3-5-13(6-4-11)19(25)26/h3-9H,2,10H2,1H3,(H,25,26)(H2,22,23,24,27)/b15-8+
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n/an/a 8.82E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2VM49Q7
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM54769
PNG
(4-({2-bromo-4-[(2,5-dioxo-4-imidazolidinylidene)me...)
Show SMILES CCOc1cc(\C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H17BrN2O6/c1-2-28-16-9-12(8-15-18(24)23-20(27)22-15)7-14(21)17(16)29-10-11-3-5-13(6-4-11)19(25)26/h3-9H,2,10H2,1H3,(H,25,26)(H2,22,23,24,27)/b15-8+
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MMDB

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n/an/a 5.90E+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)


Article DOI: 10.1016/j.bioorg.2015.08.001
BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM54769
PNG
(4-({2-bromo-4-[(2,5-dioxo-4-imidazolidinylidene)me...)
Show SMILES CCOc1cc(\C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H17BrN2O6/c1-2-28-16-9-12(8-15-18(24)23-20(27)22-15)7-14(21)17(16)29-10-11-3-5-13(6-4-11)19(25)26/h3-9H,2,10H2,1H3,(H,25,26)(H2,22,23,24,27)/b15-8+
PDB

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n/an/a 4.20E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM54769
PNG
(4-({2-bromo-4-[(2,5-dioxo-4-imidazolidinylidene)me...)
Show SMILES CCOc1cc(\C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H17BrN2O6/c1-2-28-16-9-12(8-15-18(24)23-20(27)22-15)7-14(21)17(16)29-10-11-3-5-13(6-4-11)19(25)26/h3-9H,2,10H2,1H3,(H,25,26)(H2,22,23,24,27)/b15-8+
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n/an/a 2.39E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM54769
PNG
(4-({2-bromo-4-[(2,5-dioxo-4-imidazolidinylidene)me...)
Show SMILES CCOc1cc(\C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C20H17BrN2O6/c1-2-28-16-9-12(8-15-18(24)23-20(27)22-15)7-14(21)17(16)29-10-11-3-5-13(6-4-11)19(25)26/h3-9H,2,10H2,1H3,(H,25,26)(H2,22,23,24,27)/b15-8+
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 5.76E+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, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair