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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
(Institution)
LigandTarget
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
Protein-tyrosine phosphatase 1B

  (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



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 53: 2333-44 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B

  (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)
PDB
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PubMed
n/an/a 1.60E+6n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 53: 2333-44 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B

  (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)
PDB
MMDB

NCI pathway
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KEGG

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PubMed
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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B

  (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)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
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PC cid
PC sid
PDB
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PDB
Article
PubMed
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)

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