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Compile Data Set for Download or QSAR

Found 293 hits with Last Name = 'camici' and Initial = 'g'   
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
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50256796
PNG
(6,7-Dihydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphen...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O5/c29-21-12-10-20(11-13-21)28-23(27(32)22-15-24(30)25(31)16-26(22)33-28)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,15-16,29-31H,14H2
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270n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by competitive inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50256796
PNG
(6,7-Dihydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphen...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O5/c29-21-12-10-20(11-13-21)28-23(27(32)22-15-24(30)25(31)16-26(22)33-28)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,15-16,29-31H,14H2
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340n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by competitive inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50444695
PNG
(CHEMBL3098852)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-24-13-17-28(18-14-24)38-20-19-23-7-3-1-4-8-23)39-32(33-27-9-5-2-6-10-27)34(30)22-25-11-15-26(16-12-25)31(36)37/h1-18,21H,19-20,22H2,(H,36,37)/b29-21-,33-32-
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500n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plo...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50379825
PNG
(CHEMBL2011701)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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1.20E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50444693
PNG
(CHEMBL3098944)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C27H23NO6S/c1-33-23-15-20(9-12-22(23)34-14-13-18-5-3-2-4-6-18)16-24-25(29)28(27(32)35-24)17-19-7-10-21(11-8-19)26(30)31/h2-12,15-16H,13-14,17H2,1H3,(H,30,31)/b24-16-
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1.40E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50444692
PNG
(CHEMBL3098853)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-28-17-14-25(20-29(28)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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1.50E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal pl...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50444694
PNG
(CHEMBL3098854)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-29-20-25(14-17-28(29)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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1.50E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plo...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50102746
PNG
(CHEMBL3343062)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)\C=C\c4ccccc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1S/C39H54O4/c1-34(2)21-23-39(33(41)42)24-22-37(6)27(28(39)25-34)14-15-30-36(5)19-18-31(35(3,4)29(36)17-20-38(30,37)7)43-32(40)16-13-26-11-9-8-10-12-26/h8-14,16,28-31H,15,17-25H2,1-7H3,(H,41,42)/b16-13+/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



Universidad Aut£noma del estado de Morelos

Curated by ChEMBL


Assay Description
Mixed-type inhibition of purified human GST-tagged PTP-1B using p-nitrophenylphosphate as substrate by double-reciprocal plot method


Eur J Med Chem 87: 316-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.036
BindingDB Entry DOI: 10.7270/Q2DB83NK
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257418
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3'',4''-dihydro...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H20O6/c29-20-8-5-18(6-9-20)28-23(27(33)22-11-10-21(30)15-26(22)34-28)13-16-1-3-17(4-2-16)19-7-12-24(31)25(32)14-19/h1-12,14-15,29-32H,13H2
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2.23E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50444696
PNG
(CHEMBL3098942)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C26H21NO5S/c28-24-23(33-26(31)27(24)17-20-6-10-21(11-7-20)25(29)30)16-19-8-12-22(13-9-19)32-15-14-18-4-2-1-3-5-18/h1-13,16H,14-15,17H2,(H,29,30)/b23-16-
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2.30E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plo...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
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2.50E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257418
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(3'',4''-dihydro...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C28H20O6/c29-20-8-5-18(6-9-20)28-23(27(33)22-11-10-21(30)15-26(22)34-28)13-16-1-3-17(4-2-16)19-7-12-24(31)25(32)14-19/h1-12,14-15,29-32H,13H2
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2.68E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50158368
PNG
(CHEMBL3787288)
Show SMILES [H][C@]12CC[C@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CCC(C)(C)C=C21)C(=O)OC |r,t:34|
Show InChI InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h19-20,22-23H,9-18H2,1-8H3/t20-,22+,23-,28+,29-,30-,31+/m1/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate by Lineweaver-Burk pl...


Bioorg Med Chem Lett 26: 2018-22 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.082
BindingDB Entry DOI: 10.7270/Q20Z7557
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 2243-51 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.005
BindingDB Entry DOI: 10.7270/Q2FT8N4M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50102748
PNG
(CHEMBL3343064)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1S/C32H52O3/c1-9-35-25-13-14-29(6)23(28(25,4)5)12-15-31(8)24(29)11-10-21-22-20-27(2,3)16-18-32(22,26(33)34)19-17-30(21,31)7/h10,22-25H,9,11-20H2,1-8H3,(H,33,34)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1
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4.80E+3n/an/an/an/an/an/an/an/a



Universidad Aut£noma del estado de Morelos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of purified human GST-tagged PTP-1B using p-nitrophenylphosphate as substrate by double-reciprocal plot method


Eur J Med Chem 87: 316-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.036
BindingDB Entry DOI: 10.7270/Q2DB83NK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Universidad Aut£noma del estado de Morelos

Curated by ChEMBL


Assay Description
Mixed-type inhibition of purified human GST-tagged PTP-1B using p-nitrophenylphosphate as substrate by double-reciprocal plot method


Eur J Med Chem 87: 316-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.036
BindingDB Entry DOI: 10.7270/Q2DB83NK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 2243-51 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.005
BindingDB Entry DOI: 10.7270/Q2FT8N4M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50385306
PNG
(CHEMBL2002784)
Show SMILES CCOC(=O)C(=O)Nc1nc2ccc(C)cc2s1
Show InChI InChI=1S/C12H12N2O3S/c1-3-17-11(16)10(15)14-12-13-8-5-4-7(2)6-9(8)18-12/h4-6H,3H2,1-2H3,(H,13,14,15)
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6.20E+3n/an/an/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human recombinant GST-tagged PTP1B expressed in Escherichia coli TB1 cells using p-NPP as substrate by double reciprocal plo...


Eur J Med Chem 53: 346-55 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.025
BindingDB Entry DOI: 10.7270/Q2KP836R
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50391854
PNG
(CHEMBL463665)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O |r,c:32|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-23,31H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,27+,28-,29-,30+/m1/s1
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7.10E+3n/an/an/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 2243-51 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.005
BindingDB Entry DOI: 10.7270/Q2FT8N4M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50241428
PNG
(CHEMBL401612 | N-(6-Methyl-1,3-benzothiazol-2-yl)-...)
Show SMILES Cc1ccc2nc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)sc2c1
Show InChI InChI=1S/C14H11N3O4S2/c1-9-2-7-12-13(8-9)22-14(15-12)16-23(20,21)11-5-3-10(4-6-11)17(18)19/h2-8H,1H3,(H,15,16)
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7.10E+3n/an/an/an/an/an/an/an/a



Universidad Autónoma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 by double reciprocal plot analysis


Bioorg Med Chem 17: 3332-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.042
BindingDB Entry DOI: 10.7270/Q2JQ10X9
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
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7.80E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50385307
PNG
(CHEMBL2035961)
Show SMILES CCOC(=O)C(=O)Nc1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C11H9ClN2O3S/c1-2-17-10(16)9(15)14-11-13-7-4-3-6(12)5-8(7)18-11/h3-5H,2H2,1H3,(H,13,14,15)
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7.90E+3n/an/an/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human recombinant GST-tagged PTP1B expressed in Escherichia coli TB1 cells using p-NPP as substrate by double reciprocal plo...


Eur J Med Chem 53: 346-55 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.025
BindingDB Entry DOI: 10.7270/Q2KP836R
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50385308
PNG
(CHEMBL2035962)
Show SMILES CCOC(=O)C(=O)Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C11H9FN2O3S/c1-2-17-10(16)9(15)14-11-13-7-4-3-6(12)5-8(7)18-11/h3-5H,2H2,1H3,(H,13,14,15)
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7.90E+3n/an/an/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human recombinant GST-tagged PTP1B expressed in Escherichia coli TB1 cells using p-NPP as substrate by double reciprocal plo...


Eur J Med Chem 53: 346-55 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.025
BindingDB Entry DOI: 10.7270/Q2KP836R
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM54263
PNG
((4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O |c:32|
Show InChI InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1
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8.00E+3n/an/an/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant PTP-1B expressed in Escherichia coli TB1 using p-nitrophenyl phosphate as substrate


Eur J Med Chem 46: 2243-51 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.005
BindingDB Entry DOI: 10.7270/Q2FT8N4M
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50241429
PNG
(CHEMBL401525 | N-(6-Ethoxy-1,3-benzothiazol-2-yl)-...)
Show SMILES CCOc1ccc2nc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)sc2c1
Show InChI InChI=1S/C15H13N3O5S2/c1-2-23-11-5-8-13-14(9-11)24-15(16-13)17-25(21,22)12-6-3-10(4-7-12)18(19)20/h3-9H,2H2,1H3,(H,16,17)
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2.04E+4n/an/an/an/an/an/an/an/a



Universidad Autónoma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 by double reciprocal plot analysis


Bioorg Med Chem 17: 3332-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.042
BindingDB Entry DOI: 10.7270/Q2JQ10X9
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
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2.91E+4n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned PTP1B expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM50214527
PNG
(4-((5-(4-(benzyloxy)benzylidene)-2,4-dioxothiazoli...)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C25H19NO5S/c27-23-22(32-25(30)26(23)15-18-6-10-20(11-7-18)24(28)29)14-17-8-12-21(13-9-17)31-16-19-4-2-1-3-5-19/h1-14H,15-16H2,(H,28,29)/b22-14-
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n/an/a 400n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human protein-tyrosine phosphatase beta


Bioorg Med Chem 15: 5137-49 (2007)


Article DOI: 10.1016/j.bmc.2007.05.027
BindingDB Entry DOI: 10.7270/Q2QR4XXH
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444695
PNG
(CHEMBL3098852)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-24-13-17-28(18-14-24)38-20-19-23-7-3-1-4-8-23)39-32(33-27-9-5-2-6-10-27)34(30)22-25-11-15-26(16-12-25)31(36)37/h1-18,21H,19-20,22H2,(H,36,37)/b29-21-,33-32-
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n/an/a 700n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257478
PNG
(2-(4'-Hydroxyphenyl)-3-[(4''carboxy-3''-hydroxy-1,...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3ccccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O6/c30-21-12-9-19(10-13-21)28-24(27(32)23-3-1-2-4-26(23)35-28)15-17-5-7-18(8-6-17)20-11-14-22(29(33)34)25(31)16-20/h1-14,16,30-31H,15H2,(H,33,34)
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n/an/a 700n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50086976
PNG
(4''-(2-Butyl-benzofuran-3-yl)-biphenyl-4-ol | 4'-(...)
Show SMILES CCCCc1oc2ccccc2c1-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H22O2/c1-2-3-7-23-24(21-6-4-5-8-22(21)26-23)19-11-9-17(10-12-19)18-13-15-20(25)16-14-18/h4-6,8-16,25H,2-3,7H2,1H3
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n/an/a 740n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444697
PNG
(CHEMBL3098857)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccccc2)=C\c2ccc(OCc3ccccc3)c(F)c2)cc1
Show InChI InChI=1S/C31H23FN2O4S/c32-26-17-23(13-16-27(26)38-20-22-7-3-1-4-8-22)18-28-29(35)34(19-21-11-14-24(15-12-21)30(36)37)31(39-28)33-25-9-5-2-6-10-25/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-
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n/an/a 800n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50214530
PNG
(4-[2,4-dioxo-5-(4-phenoxybenzylidene)thiazolidin-3...)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(Oc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C24H17NO5S/c26-22-21(14-16-8-12-20(13-9-16)30-19-4-2-1-3-5-19)31-24(29)25(22)15-17-6-10-18(11-7-17)23(27)28/h1-14H,15H2,(H,27,28)/b21-14-
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n/an/a 900n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human low molecular weight Protein-tyrosine phosphatase IF1


Bioorg Med Chem 15: 5137-49 (2007)


Article DOI: 10.1016/j.bmc.2007.05.027
BindingDB Entry DOI: 10.7270/Q2QR4XXH
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50257478
PNG
(2-(4'-Hydroxyphenyl)-3-[(4''carboxy-3''-hydroxy-1,...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3ccccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O6/c30-21-12-9-19(10-13-21)28-24(27(32)23-3-1-2-4-26(23)35-28)15-17-5-7-18(8-6-17)20-11-14-22(29(33)34)25(31)16-20/h1-14,16,30-31H,15H2,(H,33,34)
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n/an/a 900n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned PTP1B expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50257477
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(4''carboxy-3''-...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O7/c30-20-8-5-18(6-9-20)28-24(27(33)23-12-10-21(31)15-26(23)36-28)13-16-1-3-17(4-2-16)19-7-11-22(29(34)35)25(32)14-19/h1-12,14-15,30-32H,13H2,(H,34,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned PTP1B expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50256813
PNG
((3-(4'-hydroxybiphenyl-4-yl)benzofuran-2-yl)(4-hyd...)
Show SMILES Oc1ccc(cc1)C(=O)c1oc2ccccc2c1-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C27H18O4/c28-21-13-9-18(10-14-21)17-5-7-19(8-6-17)25-23-3-1-2-4-24(23)31-27(25)26(30)20-11-15-22(29)16-12-20/h1-16,28-29H
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n/an/a 1.08E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50256796
PNG
(6,7-Dihydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphen...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O5/c29-21-12-10-20(11-13-21)28-23(27(32)22-15-24(30)25(31)16-26(22)33-28)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,15-16,29-31H,14H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50214536
PNG
(4-[5-(3-benzyloxybenzylidene)-2,4-dioxothiazolidin...)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1
Show InChI InChI=1S/C25H19NO5S/c27-23-22(32-25(30)26(23)15-17-9-11-20(12-10-17)24(28)29)14-19-7-4-8-21(13-19)31-16-18-5-2-1-3-6-18/h1-14H,15-16H2,(H,28,29)/b22-14-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human protein-tyrosine phosphatase 1B


Bioorg Med Chem 15: 5137-49 (2007)


Article DOI: 10.1016/j.bmc.2007.05.027
BindingDB Entry DOI: 10.7270/Q2QR4XXH
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50444693
PNG
(CHEMBL3098944)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C27H23NO6S/c1-33-23-15-20(9-12-22(23)34-14-13-18-5-3-2-4-6-18)16-24-25(29)28(27(32)35-24)17-19-7-10-21(11-8-19)26(30)31/h2-12,15-16H,13-14,17H2,1H3,(H,30,31)/b24-16-
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50267069
PNG
(4-{[4-Oxo-5-(4-phenoxybenzylidene)-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(Oc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C30H22N2O4S/c33-28-27(19-21-13-17-26(18-14-21)36-25-9-5-2-6-10-25)37-30(31-24-7-3-1-4-8-24)32(28)20-22-11-15-23(16-12-22)29(34)35/h1-19H,20H2,(H,34,35)/b27-19-,31-30-
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50267098
PNG
(4-{[5-(4-Benzyloxybenzylidene)-4-oxo-2-phenylimino...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C31H24N2O4S/c34-29-28(19-22-13-17-27(18-14-22)37-21-24-7-3-1-4-8-24)38-31(32-26-9-5-2-6-10-26)33(29)20-23-11-15-25(16-12-23)30(35)36/h1-19H,20-21H2,(H,35,36)/b28-19-,32-31-
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM50214530
PNG
(4-[2,4-dioxo-5-(4-phenoxybenzylidene)thiazolidin-3...)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(Oc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C24H17NO5S/c26-22-21(14-16-8-12-20(13-9-16)30-19-4-2-1-3-5-19)31-24(29)25(22)15-17-6-10-18(11-7-17)23(27)28/h1-14H,15H2,(H,27,28)/b21-14-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human protein-tyrosine phosphatase beta


Bioorg Med Chem 15: 5137-49 (2007)


Article DOI: 10.1016/j.bmc.2007.05.027
BindingDB Entry DOI: 10.7270/Q2QR4XXH
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50086945
PNG
(4''-(2-Butyl-benzofuran-3-ylmethyl)-biphenyl-4-ol ...)
Show SMILES CCCCc1oc2ccccc2c1Cc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H24O2/c1-2-3-7-25-23(22-6-4-5-8-24(22)27-25)17-18-9-11-19(12-10-18)20-13-15-21(26)16-14-20/h4-6,8-16,26H,2-3,7,17H2,1H3
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n/an/a 1.19E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50214527
PNG
(4-((5-(4-(benzyloxy)benzylidene)-2,4-dioxothiazoli...)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C25H19NO5S/c27-23-22(32-25(30)26(23)15-18-6-10-20(11-7-18)24(28)29)14-17-8-12-21(13-9-17)31-16-19-4-2-1-3-5-19/h1-14H,15-16H2,(H,28,29)/b22-14-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human T cell protein-tyrosine phosphatase


Bioorg Med Chem 15: 5137-49 (2007)


Article DOI: 10.1016/j.bmc.2007.05.027
BindingDB Entry DOI: 10.7270/Q2QR4XXH
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257477
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(4''carboxy-3''-...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O7/c30-20-8-5-18(6-9-20)28-24(27(33)23-12-10-21(31)15-26(23)36-28)13-16-1-3-17(4-2-16)19-7-11-22(29(34)35)25(32)14-19/h1-12,14-15,30-32H,13H2,(H,34,35)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50379825
PNG
(CHEMBL2011701)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50444695
PNG
(CHEMBL3098852)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-24-13-17-28(18-14-24)38-20-19-23-7-3-1-4-8-23)39-32(33-27-9-5-2-6-10-27)34(30)22-25-11-15-26(16-12-25)31(36)37/h1-18,21H,19-20,22H2,(H,36,37)/b29-21-,33-32-
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50444698
PNG
(CHEMBL3098856)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C32H26N2O5S/c1-38-28-18-24(14-17-27(28)39-21-23-8-4-2-5-9-23)19-29-30(35)34(20-22-12-15-25(16-13-22)31(36)37)32(40-29)33-26-10-6-3-7-11-26/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50214527
PNG
(4-((5-(4-(benzyloxy)benzylidene)-2,4-dioxothiazoli...)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C25H19NO5S/c27-23-22(32-25(30)26(23)15-18-6-10-20(11-7-18)24(28)29)14-17-8-12-21(13-9-17)31-16-19-4-2-1-3-5-19/h1-14H,15-16H2,(H,28,29)/b22-14-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human protein-tyrosine phosphatase 1B


Bioorg Med Chem 15: 5137-49 (2007)


Article DOI: 10.1016/j.bmc.2007.05.027
BindingDB Entry DOI: 10.7270/Q2QR4XXH
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50444692
PNG
(CHEMBL3098853)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-28-17-14-25(20-29(28)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50267068
PNG
(4-{[4-Oxo-5-(3-phenoxybenzylidene)-2-phenyliminoth...)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(Oc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C30H22N2O4S/c33-28-27(19-22-8-7-13-26(18-22)36-25-11-5-2-6-12-25)37-30(31-24-9-3-1-4-10-24)32(28)20-21-14-16-23(17-15-21)29(34)35/h1-19H,20H2,(H,34,35)/b27-19-,31-30-
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP1B


Bioorg Med Chem 17: 1928-37 (2009)


Article DOI: 10.1016/j.bmc.2009.01.044
BindingDB Entry DOI: 10.7270/Q2FN162Z
More data for this
Ligand-Target Pair
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