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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 = 'BDBM50388812'   
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))
BDBM50388812
PNG
(CHEMBL2062707)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccc(O)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(26-27(32)25(21-30)34-28(26)33)29-20-22-16-18-23(31)19-17-22/h16-19,25,29-31H,2-15,20-21H2,1H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 9.93E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VHR


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair