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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hematopoietic protein-tyrosine phosphatase (HEPTP)' and Ligand = 'BDBM46252'   
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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46252
PNG
((4E)-2-methoxy-4-[[(phenylmethyl)amino]-sulfanyl-m...)
Show SMILES COc1cc(ccc1O)C(=S)NCc1ccccc1
Show InChI InChI=1S/C15H15NO2S/c1-18-14-9-12(7-8-13(14)17)15(19)16-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,16,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 665n/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/Q21N7ZJW
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46252
PNG
((4E)-2-methoxy-4-[[(phenylmethyl)amino]-sulfanyl-m...)
Show SMILES COc1cc(ccc1O)C(=S)NCc1ccccc1
Show InChI InChI=1S/C15H15NO2S/c1-18-14-9-12(7-8-13(14)17)15(19)16-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3,(H,16,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.25E+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/Q2474894
More data for this
Ligand-Target Pair