BindingDB logo
myBDB logout

9 similar compounds to monomer 13952

Wt: 335.3
BDBM13957
Wt: 351.3
BDBM13958
Wt: 313.3
BDBM13960
Wt: 327.3
BDBM13961
Wt: 313.3
BDBM13951
Purchase
Wt: 223.1
BDBM50118777
Wt: 367.3
BDBM50414147
Wt: 378.3
BDBM50414199
Wt: 351.3
BDBM50414108

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 13957,13958,13960,13961,13951,50118777,50414147,50414199,50414108   
Target
(Institution)
LigandTarget
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))
BDBM50414147
PNG
(CHEMBL550542)
Show SMILES OC(=O)C(=O)N(c1cc(O)ccc1C(O)=O)c1cccc2ccc(O)cc12
Show InChI InChI=1S/C19H13NO7/c21-11-5-4-10-2-1-3-15(14(10)8-11)20(17(23)19(26)27)16-9-12(22)6-7-13(16)18(24)25/h1-9,21-22H,(H,24,25)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 52: 3159-65 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50414199
PNG
(CHEMBL561501)
Show SMILES NC(=O)c1ccc2cccc(N(C(=O)C(O)=O)c3ccccc3C(O)=O)c2c1
Show InChI InChI=1S/C20H14N2O6/c21-17(23)12-9-8-11-4-3-7-16(14(11)10-12)22(18(24)20(27)28)15-6-2-1-5-13(15)19(25)26/h1-10H,(H2,21,23)(H,25,26)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3.98E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 52: 3159-65 (2009)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50414108
PNG
(CHEMBL563043)
Show SMILES OC(=O)C(=O)N(c1ccccc1C(O)=O)c1c(O)ccc2ccccc12
Show InChI InChI=1S/C19H13NO6/c21-15-10-9-11-5-1-2-6-12(11)16(15)20(17(22)19(25)26)14-8-4-3-7-13(14)18(23)24/h1-10,21H,(H,23,24)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
7.94E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 52: 3159-65 (2009)

More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13958
PNG
(2-[(7-Hydroxynaphthalen-1-yl)oxalylamino]benzoic A...)
Show SMILES OC(=O)C(=O)N(c1ccccc1C(O)=O)c1cccc2ccc(O)cc12
Show InChI InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
DrugBank
PDB
Article
PubMed
1.70E+4 -6.44n/a 8.00E+3n/an/an/a7.522



Abbott Laboratories



Assay Description
The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...


J Med Chem 46: 2093-103 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13958
PNG
(2-[(7-Hydroxynaphthalen-1-yl)oxalylamino]benzoic A...)
Show SMILES OC(=O)C(=O)N(c1ccccc1C(O)=O)c1cccc2ccc(O)cc12
Show InChI InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
2.51E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 52: 3159-65 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13961
PNG
(2-[(2-Isopropylphenyl)oxalylamino]benzoic Acid | 2...)
Show SMILES CC(C)c1ccccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C18H17NO5/c1-11(2)12-7-3-5-9-14(12)19(16(20)18(23)24)15-10-6-4-8-13(15)17(21)22/h3-11H,1-2H3,(H,21,22)(H,23,24)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.50E+4 -6.01n/a 4.90E+4n/an/an/a7.522



Abbott Laboratories



Assay Description
The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...


J Med Chem 46: 2093-103 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13957
PNG
(2-(Naphthalen-2-yloxalylamino)benzoic Acid | 2-(na...)
Show SMILES OC(=O)C(=O)N(c1ccc2ccccc2c1)c1ccccc1C(O)=O
Show InChI InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-8-4-3-7-15(16)18(22)23)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,22,23)(H,24,25)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.90E+4 -5.95n/a 1.10E+4n/an/an/a7.522



Abbott Laboratories



Assay Description
The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...


J Med Chem 46: 2093-103 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13960
PNG
(2-[(2-Ethylphenyl)oxalylamino]benzoic Acid | 2-[(2...)
Show SMILES CCc1ccccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C17H15NO5/c1-2-11-7-3-5-9-13(11)18(15(19)17(22)23)14-10-6-4-8-12(14)16(20)21/h3-10H,2H2,1H3,(H,20,21)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3.98E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 52: 3159-65 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13957
PNG
(2-(Naphthalen-2-yloxalylamino)benzoic Acid | 2-(na...)
Show SMILES OC(=O)C(=O)N(c1ccc2ccccc2c1)c1ccccc1C(O)=O
Show InChI InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-8-4-3-7-15(16)18(22)23)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,22,23)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3.98E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 52: 3159-65 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13960
PNG
(2-[(2-Ethylphenyl)oxalylamino]benzoic Acid | 2-[(2...)
Show SMILES CCc1ccccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C17H15NO5/c1-2-11-7-3-5-9-13(11)18(15(19)17(22)23)14-10-6-4-8-12(14)16(20)21/h3-10H,2H2,1H3,(H,20,21)(H,22,23)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6.00E+4 -5.70n/a 5.00E+4n/an/an/a7.522



Abbott Laboratories



Assay Description
The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...


J Med Chem 46: 2093-103 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13951
PNG
(2-[(2,3-Dimethylphenyl)oxalylamino]benzoic acid | ...)
Show SMILES Cc1cccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C17H15NO5/c1-10-6-5-9-13(11(10)2)18(15(19)17(22)23)14-8-4-3-7-12(14)16(20)21/h3-9H,1-2H3,(H,20,21)(H,22,23)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
9.30E+4 -5.44n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13951
PNG
(2-[(2,3-Dimethylphenyl)oxalylamino]benzoic acid | ...)
Show SMILES Cc1cccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C17H15NO5/c1-10-6-5-9-13(11(10)2)18(15(19)17(22)23)14-8-4-3-7-12(14)16(20)21/h3-9H,1-2H3,(H,20,21)(H,22,23)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
9.30E+4 -5.44n/a 1.24E+5n/an/an/a7.522



Abbott Laboratories



Assay Description
The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...


J Med Chem 46: 2093-103 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM13951
PNG
(2-[(2,3-Dimethylphenyl)oxalylamino]benzoic acid | ...)
Show SMILES Cc1cccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C17H15NO5/c1-10-6-5-9-13(11(10)2)18(15(19)17(22)23)14-8-4-3-7-12(14)16(20)21/h3-9H,1-2H3,(H,20,21)(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.64E+5 -5.11n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...


J Am Chem Soc 125: 4087-96 (2003)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13951
PNG
(2-[(2,3-Dimethylphenyl)oxalylamino]benzoic acid | ...)
Show SMILES Cc1cccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C17H15NO5/c1-10-6-5-9-13(11(10)2)18(15(19)17(22)23)14-8-4-3-7-12(14)16(20)21/h3-9H,1-2H3,(H,20,21)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.93E+5n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13951
PNG
(2-[(2,3-Dimethylphenyl)oxalylamino]benzoic acid | ...)
Show SMILES Cc1cccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C17H15NO5/c1-10-6-5-9-13(11(10)2)18(15(19)17(22)23)14-8-4-3-7-12(14)16(20)21/h3-9H,1-2H3,(H,20,21)(H,22,23)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.93E+5 -4.77n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...


J Am Chem Soc 125: 4087-96 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50118777
PNG
(2-(1-carboxy-N-methylformamido)benzoic acid | 2-(M...)
Show SMILES CN(C(=O)C(O)=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C10H9NO5/c1-11(8(12)10(15)16)7-5-3-2-4-6(7)9(13)14/h2-5H,1H3,(H,13,14)(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.10E+6n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50118777
PNG
(2-(1-carboxy-N-methylformamido)benzoic acid | 2-(M...)
Show SMILES CN(C(=O)C(O)=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C10H9NO5/c1-11(8(12)10(15)16)7-5-3-2-4-6(7)9(13)14/h2-5H,1H3,(H,13,14)(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.10E+6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50118777
PNG
(2-(1-carboxy-N-methylformamido)benzoic acid | 2-(M...)
Show SMILES CN(C(=O)C(O)=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C10H9NO5/c1-11(8(12)10(15)16)7-5-3-2-4-6(7)9(13)14/h2-5H,1H3,(H,13,14)(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.00E+6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens)
BDBM50118777
PNG
(2-(1-carboxy-N-methylformamido)benzoic acid | 2-(M...)
Show SMILES CN(C(=O)C(O)=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C10H9NO5/c1-11(8(12)10(15)16)7-5-3-2-4-6(7)9(13)14/h2-5H,1H3,(H,13,14)(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.00E+6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13951
PNG
(2-[(2,3-Dimethylphenyl)oxalylamino]benzoic acid | ...)
Show SMILES Cc1cccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C17H15NO5/c1-10-6-5-9-13(11(10)2)18(15(19)17(22)23)14-8-4-3-7-12(14)16(20)21/h3-9H,1-2H3,(H,20,21)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 1.00E+5n/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)