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BDBM50118788 3-(carboxyformamido)-5-(3-methoxyphenyl)thiophene-2-carboxylic acid::5-(3-Methoxy-phenyl)-3-(oxalyl-amino)-thiophene-2-carboxylic acid::CHEMBL139024

SMILES: COc1cccc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O

InChI Key: InChIKey=NBRRTSLBDFQULB-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 = 50118788   
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))
BDBM50118788
PNG
(3-(carboxyformamido)-5-(3-methoxyphenyl)thiophene-...)
Show SMILES COc1cccc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O
Show InChI InChI=1S/C14H11NO6S/c1-21-8-4-2-3-7(5-8)10-6-9(11(22-10)13(17)18)15-12(16)14(19)20/h2-6H,1H3,(H,15,16)(H,17,18)(H,19,20)
PDB
MMDB

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PubMed
1.20E+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))
BDBM50118788
PNG
(3-(carboxyformamido)-5-(3-methoxyphenyl)thiophene-...)
Show SMILES COc1cccc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O
Show InChI InChI=1S/C14H11NO6S/c1-21-8-4-2-3-7(5-8)10-6-9(11(22-10)13(17)18)15-12(16)14(19)20/h2-6H,1H3,(H,15,16)(H,17,18)(H,19,20)
PDB
MMDB

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Article
PubMed
1.20E+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
Protein-tyrosine phosphatase alpha


(Homo sapiens (Human))
BDBM50118788
PNG
(3-(carboxyformamido)-5-(3-methoxyphenyl)thiophene-...)
Show SMILES COc1cccc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O
Show InChI InChI=1S/C14H11NO6S/c1-21-8-4-2-3-7(5-8)10-6-9(11(22-10)13(17)18)15-12(16)14(19)20/h2-6H,1H3,(H,15,16)(H,17,18)(H,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
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PubMed
5.30E+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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50118788
PNG
(3-(carboxyformamido)-5-(3-methoxyphenyl)thiophene-...)
Show SMILES COc1cccc(c1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O
Show InChI InChI=1S/C14H11NO6S/c1-21-8-4-2-3-7(5-8)10-6-9(11(22-10)13(17)18)15-12(16)14(19)20/h2-6H,1H3,(H,15,16)(H,17,18)(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
8.34E+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