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BDBM50197854 3-(4-heptadecyl-2,5-dioxo-2,5-dihydrofuran-3-yl)propanoicacid::CHEMBL228419

SMILES: CCCCCCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O

InChI Key: InChIKey=QVTCGJSULDGKCO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50197854   
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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50197854
PNG
(3-(4-heptadecyl-2,5-dioxo-2,5-dihydrofuran-3-yl)pr...)
Show SMILES CCCCCCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O
Show InChI InChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(18-19-22(25)26)24(28)29-23(20)27/h2-19H2,1H3,(H,25,26)
PDB
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Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Université Paul Verlaine-Metz

Curated by ChEMBL


Assay Description
Inhibition of human GST-Cdc25A expressed in Escherichia coli BL21(DE3)


Eur J Med Chem 42: 243-7 (2007)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50197854
PNG
(3-(4-heptadecyl-2,5-dioxo-2,5-dihydrofuran-3-yl)pr...)
Show SMILES CCCCCCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O
Show InChI InChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(18-19-22(25)26)24(28)29-23(20)27/h2-19H2,1H3,(H,25,26)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Université Paul Verlaine-Metz

Curated by ChEMBL


Assay Description
Inhibition of human GST-Cdc25B expressed in Escherichia coli BL21(DE3)


Eur J Med Chem 42: 243-7 (2007)

More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50197854
PNG
(3-(4-heptadecyl-2,5-dioxo-2,5-dihydrofuran-3-yl)pr...)
Show SMILES CCCCCCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O
Show InChI InChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(18-19-22(25)26)24(28)29-23(20)27/h2-19H2,1H3,(H,25,26)
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PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25C


Bioorg Med Chem 19: 2145-55 (2011)

More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50197854
PNG
(3-(4-heptadecyl-2,5-dioxo-2,5-dihydrofuran-3-yl)pr...)
Show SMILES CCCCCCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O
Show InChI InChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(18-19-22(25)26)24(28)29-23(20)27/h2-19H2,1H3,(H,25,26)
PDB
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PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A


Bioorg Med Chem 19: 2145-55 (2011)

More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Homo sapiens (Human))
BDBM50197854
PNG
(3-(4-heptadecyl-2,5-dioxo-2,5-dihydrofuran-3-yl)pr...)
Show SMILES CCCCCCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O
Show InChI InChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(18-19-22(25)26)24(28)29-23(20)27/h2-19H2,1H3,(H,25,26)
PDB
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Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25B


Bioorg Med Chem 19: 2145-55 (2011)

More data for this
Ligand-Target Pair
Cdc25C


(Homo sapiens (Human))
BDBM50197854
PNG
(3-(4-heptadecyl-2,5-dioxo-2,5-dihydrofuran-3-yl)pr...)
Show SMILES CCCCCCCCCCCCCCCCCC1=C(CCC(O)=O)C(=O)OC1=O
Show InChI InChI=1S/C24H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(18-19-22(25)26)24(28)29-23(20)27/h2-19H2,1H3,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Université Paul Verlaine-Metz

Curated by ChEMBL


Assay Description
Inhibition of human GST-Cdc25C expressed in Escherichia coli BL21(DE3)


Eur J Med Chem 42: 243-7 (2007)

More data for this
Ligand-Target Pair