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BDBM50104698 5-Hydroxymethyl-4-methoxy-2-oxo-2,5-dihydro-furan-3-carboxylic acid tetradecyl ester::CHEMBL111454

SMILES: CCCCCCCCCCCCCCOC(=O)C1=C(OC)[C@@H](CO)OC1=O

InChI Key: InChIKey=KJXDKQVYJVFPAV-QGZVFWFLSA-N

Data: 2 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 2 hits for monomerid = 50104698   
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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50104698
PNG
(5-Hydroxymethyl-4-methoxy-2-oxo-2,5-dihydro-furan-...)
Show SMILES CCCCCCCCCCCCCCOC(=O)C1=C(OC)[C@@H](CO)OC1=O |c:17|
Show InChI InChI=1S/C21H36O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26-20(23)18-19(25-2)17(16-22)27-21(18)24/h17,22H,3-16H2,1-2H3/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibitory activity against vaccinia VH1-related phosphatase(VHR)


J Med Chem 44: 3216-22 (2001)


BindingDB Entry DOI: 10.7270/Q2WD3ZVR
More data for this
Ligand-Target Pair
Dual specificity phosphatase Cdc25B


(Mus musculus)
BDBM50104698
PNG
(5-Hydroxymethyl-4-methoxy-2-oxo-2,5-dihydro-furan-...)
Show SMILES CCCCCCCCCCCCCCOC(=O)C1=C(OC)[C@@H](CO)OC1=O |c:17|
Show InChI InChI=1S/C21H36O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26-20(23)18-19(25-2)17(16-22)27-21(18)24/h17,22H,3-16H2,1-2H3/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.25E+5n/an/an/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibitory activity against cell division cycle 25B


J Med Chem 44: 3216-22 (2001)


BindingDB Entry DOI: 10.7270/Q2WD3ZVR
More data for this
Ligand-Target Pair