BindingDB logo
myBDB logout

PubMed code 16806920

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14267
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(2-formamidoacetic...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)CC(O)=O)cc1
Show InChI InChI=1S/C16H12BrNO8S/c17-12-13(26-6-11(22)23)15(16(24)25)27-14(12)7-1-3-8(4-2-7)18-9(19)5-10(20)21/h1-4H,5-6H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
140 -39.1n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM14267
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(2-formamidoacetic...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)CC(O)=O)cc1
Show InChI InChI=1S/C16H12BrNO8S/c17-12-13(26-6-11(22)23)15(16(24)25)27-14(12)7-1-3-8(4-2-7)18-9(19)5-10(20)21/h1-4H,5-6H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
180 -38.5n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14262
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-{[4-(trifluorometh...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H13BrF3NO7S2/c21-15-16(32-9-14(26)27)18(19(28)29)33-17(15)10-1-5-12(6-2-10)25-34(30,31)13-7-3-11(4-8-13)20(22,23)24/h1-8,25H,9H2,(H,26,27)(H,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
200 -38.2n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14266
PNG
(4-bromo-3-(carboxymethoxy)-5-{4-[(3,3,5,5-tetramet...)
Show SMILES CC1(C)CC(CC(C)(C)C1)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C23H28BrNO5S/c1-22(2)9-15(10-23(3,4)12-22)25-14-7-5-13(6-8-14)19-17(24)18(30-11-16(26)27)20(31-19)21(28)29/h5-8,15,25H,9-12H2,1-4H3,(H,26,27)(H,28,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
250 -37.7n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14250
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thio...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(O)cc1
Show InChI InChI=1S/C13H9BrO6S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-1-3-7(15)4-2-6/h1-4,15H,5H2,(H,16,17)(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

DrugBank
MMDB
PDB
Article
PubMed
300 -36.9n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM14245
PNG
(4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-car...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
320 -37.1n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14265
PNG
(4-bromo-3-(carboxymethoxy)-5-{4-[(propan-2-ylcarba...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C17H17BrN2O6S/c1-8(2)19-17(25)20-10-5-3-9(4-6-10)14-12(18)13(26-7-11(21)22)15(27-14)16(23)24/h3-6,8H,7H2,1-2H3,(H,21,22)(H,23,24)(H2,19,20,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
360 -36.8n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14256
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-acetamidophenyl)th...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H12BrNO6S/c1-7(18)17-9-4-2-8(3-5-9)13-11(16)12(23-6-10(19)20)14(24-13)15(21)22/h2-5H,6H2,1H3,(H,17,18)(H,19,20)(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
500 -36.0n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14253
PNG
(4-bromo-3-(carboxymethoxy)-5-(1H-indol-6-yl)thioph...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C15H10BrNO5S/c16-11-12(22-6-10(18)19)14(15(20)21)23-13(11)8-2-1-7-3-4-17-9(7)5-8/h1-5,17H,6H2,(H,18,19)(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
570 -35.3n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14259
PNG
(5-(4-benzamidophenyl)-4-bromo-3-(carboxymethoxy)th...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H14BrNO6S/c21-15-16(28-10-14(23)24)18(20(26)27)29-17(15)11-6-8-13(9-7-11)22-19(25)12-4-2-1-3-5-12/h1-9H,10H2,(H,22,25)(H,23,24)(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
600 -35.5n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14257
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(furan-2-amido)phe...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)c2ccco2)cc1
Show InChI InChI=1S/C18H12BrNO7S/c19-13-14(27-8-12(21)22)16(18(24)25)28-15(13)9-3-5-10(6-4-9)20-17(23)11-2-1-7-26-11/h1-7H,8H2,(H,20,23)(H,21,22)(H,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
620 -35.4n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM14258
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H13BrN2O6S/c20-14-15(28-9-13(23)24)17(19(26)27)29-16(14)10-3-5-12(6-4-10)22-18(25)11-2-1-7-21-8-11/h1-8H,9H2,(H,22,25)(H,23,24)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
680 -35.2n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14261
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-methanesulfonamido...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C14H12BrNO7S2/c1-25(21,22)16-8-4-2-7(3-5-8)12-10(15)11(23-6-9(17)18)13(24-12)14(19)20/h2-5,16H,6H2,1H3,(H,17,18)(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
740 -35.0n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14258
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(pyridine-3-amido)...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H13BrN2O6S/c20-14-15(28-9-13(23)24)17(19(26)27)29-16(14)10-3-5-12(6-4-10)22-18(25)11-2-1-7-21-8-11/h1-8H,9H2,(H,22,25)(H,23,24)(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
820 -34.7n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM14255
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3 -34.2n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14264
PNG
(4-bromo-3-(carboxymethoxy)-5-{4-[(methoxycarbonyl)...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H12BrNO7S/c1-23-15(22)17-8-4-2-7(3-5-8)12-10(16)11(24-6-9(18)19)13(25-12)14(20)21/h2-5H,6H2,1H3,(H,17,22)(H,18,19)(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3 -34.2n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14252
PNG
(4-bromo-3-(carboxymethoxy)-5-(3-hydroxyphenyl)thio...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(O)c1
Show InChI InChI=1S/C13H9BrO6S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-2-1-3-7(15)4-6/h1-4,15H,5H2,(H,16,17)(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.00E+3 -33.9n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14263
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-{methyl[4-(trifluo...)
Show SMILES CN(c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H15BrF3NO7S2/c1-26(35(31,32)14-8-4-12(5-9-14)21(23,24)25)13-6-2-11(3-7-13)18-16(22)17(33-10-15(27)28)19(34-18)20(29)30/h2-9H,10H2,1H3,(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+3 -33.8n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14246
PNG
(4-bromo-3-(carboxymethoxy)-5-(thiophen-3-yl)thioph...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccsc1
Show InChI InChI=1S/C11H7BrO5S2/c12-7-8(17-3-6(13)14)10(11(15)16)19-9(7)5-1-2-18-4-5/h1-2,4H,3H2,(H,13,14)(H,15,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+3 -33.1n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14254
PNG
(5-(4-aminophenyl)-4-bromo-3-(carboxymethoxy)thioph...)
Show SMILES Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C13H10BrNO5S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-1-3-7(15)4-2-6/h1-4H,5,15H2,(H,16,17)(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+3 -33.1n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14260
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(phenylcarbamoyl)p...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H14BrNO6S/c21-15-16(28-10-14(23)24)18(20(26)27)29-17(15)11-6-8-12(9-7-11)19(25)22-13-4-2-1-3-5-13/h1-9H,10H2,(H,22,25)(H,23,24)(H,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.50E+3 -32.0n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14251
PNG
(4-bromo-3-(carboxymethoxy)-5-(4-methoxyphenyl)thio...)
Show SMILES COc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C14H11BrO6S/c1-20-8-4-2-7(3-5-8)12-10(15)11(21-6-9(16)17)13(22-12)14(18)19/h2-5H,6H2,1H3,(H,16,17)(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3 -31.2n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14245
PNG
(4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-car...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

DrugBank
MMDB
PDB
Article
PubMed
3.20E+3 -31.0n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14248
PNG
(4-bromo-3-(carboxymethoxy)-5-(naphthalen-2-yl)thio...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C17H11BrO5S/c18-13-14(23-8-12(19)20)16(17(21)22)24-15(13)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,19,20)(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.30E+3 -31.0n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14247
PNG
(4-bromo-3-(carboxymethoxy)-5-(pyridin-3-yl)thiophe...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccnc1
Show InChI InChI=1S/C12H8BrNO5S/c13-8-9(19-5-7(15)16)11(12(17)18)20-10(8)6-2-1-3-14-4-6/h1-4H,5H2,(H,15,16)(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+3 -30.5n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14249
PNG
(5-(1-benzofuran-6-yl)-4-bromo-3-(carboxymethoxy)th...)
Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc2ccoc2c1
Show InChI InChI=1S/C15H9BrO6S/c16-11-12(22-6-10(17)18)14(15(19)20)23-13(11)8-2-1-7-3-4-21-9(7)5-8/h1-5H,6H2,(H,17,18)(H,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3 -30.0n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14255
PNG
(4-bromo-3-(carboxymethoxy)-5-[4-(dimethylamino)phe...)
Show SMILES CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
Show InChI InChI=1S/C15H14BrNO5S/c1-17(2)9-5-3-8(4-6-9)13-11(16)12(22-7-10(18)19)14(23-13)15(20)21/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.00E+3 -28.8n/an/an/an/an/an/a25



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14244
PNG
(4,5-dibromo-3-(carboxymethoxy)thiophene-2-carboxyl...)
Show SMILES OC(=O)COc1c(Br)c(Br)sc1C(O)=O
Show InChI InChI=1S/C7H4Br2O5S/c8-3-4(14-1-2(10)11)5(7(12)13)15-6(3)9/h1H2,(H,10,11)(H,12,13)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.80E+4 -26.8n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14240
PNG
(4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic a...)
Show SMILES OC(=O)COc1c(Br)csc1C(O)=O
Show InChI InChI=1S/C7H5BrO5S/c8-3-2-14-6(7(11)12)5(3)13-1-4(9)10/h2H,1H2,(H,9,10)(H,11,12)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

MMDB
PDB
Article
PubMed
1.60E+5 -21.4n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14242
PNG
(3-(carboxymethoxy)-4-methylthiophene-2-carboxylic ...)
Show SMILES Cc1csc(C(O)=O)c1OCC(O)=O
Show InChI InChI=1S/C8H8O5S/c1-4-3-14-7(8(11)12)6(4)13-2-5(9)10/h3H,2H2,1H3,(H,9,10)(H,11,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6>-17.0n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14243
PNG
(3-(carboxymethoxy)-4-phenylthiophene-2-carboxylic ...)
Show SMILES OC(=O)COc1c(scc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C13H10O5S/c14-10(15)6-18-11-9(7-19-12(11)13(16)17)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)(H,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+6>-17.0n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298]


(Homo sapiens (Human))
BDBM14241
PNG
(3-(carboxymethoxy)thiophene-2-carboxylic acid | Mo...)
Show SMILES OC(=O)COc1ccsc1C(O)=O
Show InChI InChI=1S/C7H6O5S/c8-5(9)3-12-4-1-2-13-6(4)7(10)11/h1-2H,3H2,(H,8,9)(H,10,11)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6>-17.0n/an/an/an/an/a7.022



Wyeth Research



Assay Description
The enzymatic assay was carried out at room temperature in 96-well plates. The initial rate of PTPase-catalyzed hydrolysis of p-nitrophenol phosphate...


Bioorg Med Chem Lett 16: 4941-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.051
BindingDB Entry DOI: 10.7270/Q24J0CBD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
* indicates data uncertainty>20%