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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 3' and Ligand = 'BDBM51785'   
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))
BDBM51785
PNG
((5E)-1-(2,5-dimethoxyphenyl)-5-(2-furanylmethylide...)
Show SMILES COc1ccc(OC)c(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:17.18|
Show InChI InChI=1S/C17H14N2O5S/c1-22-10-5-6-14(23-2)13(9-10)19-16(21)12(15(20)18-17(19)25)8-11-4-3-7-24-11/h3-9H,1-2H3,(H,18,20,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.23E+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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM51785
PNG
((5E)-1-(2,5-dimethoxyphenyl)-5-(2-furanylmethylide...)
Show SMILES COc1ccc(OC)c(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:17.18|
Show InChI InChI=1S/C17H14N2O5S/c1-22-10-5-6-14(23-2)13(9-10)19-16(21)12(15(20)18-17(19)25)8-11-4-3-7-24-11/h3-9H,1-2H3,(H,18,20,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.23E+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/Q29G5K79
More data for this
Ligand-Target Pair