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SMILES: OC(=O)C(=O)Nc1cc(sc1C(O)=O)-c1ccccc1

InChI Key: InChIKey=DUHCMTOALIAKCK-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50118747   
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))
BDBM50118747
PNG
(3-(Oxalyl-amino)-5-phenyl-thiophene-2-carboxylic a...)
Show SMILES OC(=O)C(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9NO5S/c15-11(13(18)19)14-8-6-9(20-10(8)12(16)17)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,16,17)(H,18,19)
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Article
PubMed
1.29E+4n/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))
BDBM50118747
PNG
(3-(Oxalyl-amino)-5-phenyl-thiophene-2-carboxylic a...)
Show SMILES OC(=O)C(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9NO5S/c15-11(13(18)19)14-8-6-9(20-10(8)12(16)17)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,16,17)(H,18,19)
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PubMed
1.30E+4n/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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50118747
PNG
(3-(Oxalyl-amino)-5-phenyl-thiophene-2-carboxylic a...)
Show SMILES OC(=O)C(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9NO5S/c15-11(13(18)19)14-8-6-9(20-10(8)12(16)17)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,16,17)(H,18,19)
PDB
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Article
PubMed
1.30E+4n/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
Receptor-type tyrosine-protein phosphatase F


(Homo sapiens (Human))
BDBM50118747
PNG
(3-(Oxalyl-amino)-5-phenyl-thiophene-2-carboxylic a...)
Show SMILES OC(=O)C(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9NO5S/c15-11(13(18)19)14-8-6-9(20-10(8)12(16)17)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,16,17)(H,18,19)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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PubMed
9.00E+4n/an/an/an/an/an/a5.5n/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory effect against protein-tyrosine phosphatase Lar, using p-nitrophenyl phosphate as 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))
BDBM50118747
PNG
(3-(Oxalyl-amino)-5-phenyl-thiophene-2-carboxylic a...)
Show SMILES OC(=O)C(=O)Nc1cc(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9NO5S/c15-11(13(18)19)14-8-6-9(20-10(8)12(16)17)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,16,17)(H,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.50E+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