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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 = 'BDBM46286'   
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))
BDBM46286
PNG
((4E)-4-[[[4-fluoranyl-3-(trifluoromethyl)phenyl]me...)
Show SMILES COc1cc(ccc1O)C(=S)NCc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F4NO2S/c1-23-14-7-10(3-5-13(14)22)15(24)21-8-9-2-4-12(17)11(6-9)16(18,19)20/h2-7,22H,8H2,1H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 220n/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/Q2WW7G20
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM46286
PNG
((4E)-4-[[[4-fluoranyl-3-(trifluoromethyl)phenyl]me...)
Show SMILES COc1cc(ccc1O)C(=S)NCc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F4NO2S/c1-23-14-7-10(3-5-13(14)22)15(24)21-8-9-2-4-12(17)11(6-9)16(18,19)20/h2-7,22H,8H2,1H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.40E+4n/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/Q2DB807Z
More data for this
Ligand-Target Pair