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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Hematopoietic protein-tyrosine phosphatase (HEPTP)' and Ligand = 'BDBM46225'   
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))
BDBM46225
PNG
(MLS-0266851.0001 | cid_2545467)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O7S2/c1-3-32-23(31)19-11(2)17-21(34-19)24-20-15(33-10-16(27)28)8-12(9-25(20)22(17)30)18(29)13-6-4-5-7-14(13)26/h4-9,26H,3,10H2,1-2H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC sid
UniChem

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PCBioAssay
n/an/a 105n/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))
BDBM46225
PNG
(MLS-0266851.0001 | cid_2545467)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O7S2/c1-3-32-23(31)19-11(2)17-21(34-19)24-20-15(33-10-16(27)28)8-12(9-25(20)22(17)30)18(29)13-6-4-5-7-14(13)26/h4-9,26H,3,10H2,1-2H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 321n/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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46225
PNG
(MLS-0266851.0001 | cid_2545467)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O7S2/c1-3-32-23(31)19-11(2)17-21(34-19)24-20-15(33-10-16(27)28)8-12(9-25(20)22(17)30)18(29)13-6-4-5-7-14(13)26/h4-9,26H,3,10H2,1-2H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a<1.24E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46225
PNG
(MLS-0266851.0001 | cid_2545467)
Show SMILES CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
Show InChI InChI=1S/C23H18N2O7S2/c1-3-32-23(31)19-11(2)17-21(34-19)24-20-15(33-10-16(27)28)8-12(9-25(20)22(17)30)18(29)13-6-4-5-7-14(13)26/h4-9,26H,3,10H2,1-2H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.90E+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/Q2GQ6W6X
More data for this
Ligand-Target Pair