BindingDB logo
myBDB logout

BDBM50118779 3-(Oxalyl-amino)-thiophene-2-carboxylic acid::3-(carboxyformamido)thiophene-2-carboxylic acid::CHEMBL336879

SMILES: OC(=O)C(=O)Nc1ccsc1C(O)=O

InChI Key: InChIKey=FWYVBNVUABXDKL-UHFFFAOYSA-N

Data: 12 KI

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 12 hits for monomerid = 50118779   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
3.70E+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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.72E+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 2


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.80E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN2


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (PTPβ)


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.60E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPRB


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.60E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPRC


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon (PTPε)


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.60E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPRE


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>2.00E+6n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPRF


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>2.00E+6n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase alpha


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>2.00E+6n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPRA


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.00E+6n/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
Protein-tyrosine phosphatase alpha


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.00E+6n/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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.70E+13n/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