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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 3' and Ligand = 'BDBM50104698'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity protein phosphatase 3


(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

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PC sid
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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