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SMILES: OC(=O)C(=O)Nc1sc2CS(=O)(=O)CCc2c1C(O)=O

InChI Key: InChIKey=RKVURUSXNLORGI-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50118763   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50118763
PNG
(2-(Oxalyl-amino)-6,6-dioxo-4,5,6,7-tetrahydro-6lam...)
Show SMILES OC(=O)C(=O)Nc1sc2CS(=O)(=O)CCc2c1C(O)=O
Show InChI InChI=1S/C10H9NO7S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-20(17,18)3-5(4)19-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)
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Article
PubMed
6.03E+3n/an/an/an/an/an/an/an/a



Tsinghua University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PTP1B


Bioorg Med Chem Lett 20: 3329-37 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.033
BindingDB Entry DOI: 10.7270/Q27D2WCC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50118763
PNG
(2-(Oxalyl-amino)-6,6-dioxo-4,5,6,7-tetrahydro-6lam...)
Show SMILES OC(=O)C(=O)Nc1sc2CS(=O)(=O)CCc2c1C(O)=O
Show InChI InChI=1S/C10H9NO7S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-20(17,18)3-5(4)19-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)
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Article
PubMed
6.09E+3n/an/an/an/an/an/an/an/a



Graduate University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to PTP1B


Bioorg Med Chem Lett 15: 5521-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.078
BindingDB Entry DOI: 10.7270/Q2TF0139
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50118763
PNG
(2-(Oxalyl-amino)-6,6-dioxo-4,5,6,7-tetrahydro-6lam...)
Show SMILES OC(=O)C(=O)Nc1sc2CS(=O)(=O)CCc2c1C(O)=O
Show InChI InChI=1S/C10H9NO7S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-20(17,18)3-5(4)19-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)
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PubMed
6.10E+3n/an/an/an/an/an/a5.5n/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory effect against recombinant human protein-tyrosine phosphatase 1B (PTP1B), using p-nitrophenyl phosphate substrate at pH 5.5.


J Med Chem 45: 4443-59 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GM5
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50118763
PNG
(2-(Oxalyl-amino)-6,6-dioxo-4,5,6,7-tetrahydro-6lam...)
Show SMILES OC(=O)C(=O)Nc1sc2CS(=O)(=O)CCc2c1C(O)=O
Show InChI InChI=1S/C10H9NO7S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-20(17,18)3-5(4)19-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)
PDB

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antibodypedia
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PubMed
3.22E+5n/an/an/an/an/an/a5.5n/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory effect against human protein-tyrosine phosphatase alpha (PTPalpha), using p-nitrophenyl phosphate substrate at pH 5.5.


J Med Chem 45: 4443-59 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GM5
More data for this
Ligand-Target Pair