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BDBM50118778 5-iodo-2-(oxaloamino)benzoic acid::CHEMBL336908

SMILES: OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O

InChI Key: InChIKey=SHSWHSQPJKMCPN-UHFFFAOYSA-N

Data: 11 KI

PDB links: 1 PDB ID matches this monomer.

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 11 hits for monomerid = 50118778   
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))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
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1.40E+4n/an/an/an/an/an/a5.5n/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory effect against recombinant human PTP1B (Protein Tyrosine phosphatase 1B) 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
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
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1.40E+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
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
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1.41E+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
3D
3D Structure (crystal)
Receptor-type tyrosine-protein phosphatase beta (PTPβ)


(Homo sapiens (Human))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
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1.70E+4n/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
Receptor-type tyrosine-protein phosphatase epsilon (PTPε)


(Homo sapiens (Human))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
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PubMed
3.30E+4n/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
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
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PubMed
4.90E+4n/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
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
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PubMed
8.00E+4n/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))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
GoogleScholar
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Article
PubMed
8.90E+4n/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 alpha


(Homo sapiens (Human))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
GoogleScholar
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Article
PubMed
8.90E+4n/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))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
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Article
PubMed
4.20E+5n/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
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
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Article
PubMed
4.20E+5n/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)


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