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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 = 'BDBM51770'   
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))
BDBM51770
PNG
((4-amino-3-methyl-5-thieno[2,3-c]isothiazolyl)-(4-...)
Show SMILES Cc1snc2sc(C(=O)c3ccc(F)cc3)c(N)c12
Show InChI InChI=1S/C13H9FN2OS2/c1-6-9-10(15)12(18-13(9)16-19-6)11(17)7-2-4-8(14)5-3-7/h2-5H,15H2,1H3
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

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/Q2445JXV
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM51770
PNG
((4-amino-3-methyl-5-thieno[2,3-c]isothiazolyl)-(4-...)
Show SMILES Cc1snc2sc(C(=O)c3ccc(F)cc3)c(N)c12
Show InChI InChI=1S/C13H9FN2OS2/c1-6-9-10(15)12(18-13(9)16-19-6)11(17)7-2-4-8(14)5-3-7/h2-5H,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.03E+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