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PDB code 2BGE

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
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
Tyrosine-protein phosphatase non-receptor type 1

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50166434
PNG
(1,1-Dioxo-5-phenyl-1lambda*6*-[1,2,5]thiadiazolidi...)
Show SMILES O=C1CN(c2ccccc2)S(=O)(=O)N1
Show InChI InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 53: 2333-44 (2010)


Article DOI: 10.1021/jm901090b
BindingDB Entry DOI: 10.7270/Q28P60MB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50166434
PNG
(1,1-Dioxo-5-phenyl-1lambda*6*-[1,2,5]thiadiazolidi...)
Show SMILES O=C1CN(c2ccccc2)S(=O)(=O)N1
Show InChI InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 53: 2333-44 (2010)


Article DOI: 10.1021/jm901090b
BindingDB Entry DOI: 10.7270/Q28P60MB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50166434
PNG
(1,1-Dioxo-5-phenyl-1lambda*6*-[1,2,5]thiadiazolidi...)
Show SMILES O=C1CN(c2ccccc2)S(=O)(=O)N1
Show InChI InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)
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n/an/a 1.60E+6n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50166434
PNG
(1,1-Dioxo-5-phenyl-1lambda*6*-[1,2,5]thiadiazolidi...)
Show SMILES O=C1CN(c2ccccc2)S(=O)(=O)N1
Show InChI InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)
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n/an/a 1.61E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against Protein tyrosine phosphatase 1B


Bioorg Med Chem Lett 15: 2503-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.068
BindingDB Entry DOI: 10.7270/Q2QR4WPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output