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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 = 'BDBM46250'   
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))
BDBM46250
PNG
((4E)-2-methoxy-4-[(pentan-3-ylamino)-sulfanyl-meth...)
Show SMILES CCC(CC)NC(=S)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C13H19NO2S/c1-4-10(5-2)14-13(17)9-6-7-11(15)12(8-9)16-3/h6-8,10,15H,4-5H2,1-3H3,(H,14,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 766n/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))
BDBM46250
PNG
((4E)-2-methoxy-4-[(pentan-3-ylamino)-sulfanyl-meth...)
Show SMILES CCC(CC)NC(=S)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C13H19NO2S/c1-4-10(5-2)14-13(17)9-6-7-11(15)12(8-9)16-3/h6-8,10,15H,4-5H2,1-3H3,(H,14,17)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.12E+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/Q2474894
More data for this
Ligand-Target Pair