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BDBM50118782 3-(carboxyformamido)-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid::5-(4-Hydroxy-phenyl)-3-(oxalyl-amino)-thiophene-2-carboxylic acid::CHEMBL337759

SMILES: OC(=O)C(=O)Nc1cc(sc1C(O)=O)-c1ccc(O)cc1

InChI Key: InChIKey=JDOWYYQNSFKVPH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50118782   
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))
BDBM50118782
PNG
(3-(carboxyformamido)-5-(4-hydroxyphenyl)thiophene-...)
Show SMILES OC(=O)C(=O)Nc1cc(sc1C(O)=O)-c1ccc(O)cc1
Show InChI InChI=1S/C13H9NO6S/c15-7-3-1-6(2-4-7)9-5-8(10(21-9)12(17)18)14-11(16)13(19)20/h1-5,15H,(H,14,16)(H,17,18)(H,19,20)
PDB
MMDB

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Article
PubMed
4.47E+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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50118782
PNG
(3-(carboxyformamido)-5-(4-hydroxyphenyl)thiophene-...)
Show SMILES OC(=O)C(=O)Nc1cc(sc1C(O)=O)-c1ccc(O)cc1
Show InChI InChI=1S/C13H9NO6S/c15-7-3-1-6(2-4-7)9-5-8(10(21-9)12(17)18)14-11(16)13(19)20/h1-5,15H,(H,14,16)(H,17,18)(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Patents


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Article
PubMed
4.50E+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)


Article DOI: 10.1021/jm0209026
BindingDB Entry DOI: 10.7270/Q2QJ7GM5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase alpha


(Homo sapiens (Human))
BDBM50118782
PNG
(3-(carboxyformamido)-5-(4-hydroxyphenyl)thiophene-...)
Show SMILES OC(=O)C(=O)Nc1cc(sc1C(O)=O)-c1ccc(O)cc1
Show InChI InChI=1S/C13H9NO6S/c15-7-3-1-6(2-4-7)9-5-8(10(21-9)12(17)18)14-11(16)13(19)20/h1-5,15H,(H,14,16)(H,17,18)(H,19,20)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.10E+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)


Article DOI: 10.1021/jm0209026
BindingDB Entry DOI: 10.7270/Q2QJ7GM5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50118782
PNG
(3-(carboxyformamido)-5-(4-hydroxyphenyl)thiophene-...)
Show SMILES OC(=O)C(=O)Nc1cc(sc1C(O)=O)-c1ccc(O)cc1
Show InChI InChI=1S/C13H9NO6S/c15-7-3-1-6(2-4-7)9-5-8(10(21-9)12(17)18)14-11(16)13(19)20/h1-5,15H,(H,14,16)(H,17,18)(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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UniProtKB/TrEMBL

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

Patents


Similars

PubMed
1.00E+14n/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)


BindingDB Entry DOI: 10.7270/Q2TF0139
More data for this
Ligand-Target Pair