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PubMed code 28372909

Compile data set for download or QSAR
Found 45 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


(Homo sapiens (Human))		BDBM50131550
PNG
((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r|
Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/m0/s1
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PubMed
 2.40n/an/an/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged PTP1B (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrate measured after 2 to 3 min...

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50131550
PNG
((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r|
Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/m0/s1
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 26n/an/an/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant TCPTP (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 14n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant TCPTP (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 46n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256823
PNG
(CHEMBL4094898)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C47H43NO10S2/c1-3-56-59(50,51)30-28-35-11-20-42(21-12-35)54-33-37-10-15-40(34-55-43-22-13-36(14-23-43)29-31-60(52,53)57-4-2)46(32-37)47(49)48-41-18-26-45(27-19-41)58-44-24-16-39(17-25-44)38-8-6-5-7-9-38/h5-32H,3-4,33-34H2,1-2H3,(H,48,49)/b30-28+,31-29+
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n/an/a 140n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256826
PNG
(CHEMBL4066472)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(Br)cc3Cl)cc2)cc1
Show InChI InChI=1S/C41H37BrClNO10S2/c1-3-52-55(46,47)23-21-29-6-14-35(15-7-29)50-27-31-5-10-32(28-51-36-16-8-30(9-17-36)22-24-56(48,49)53-4-2)38(25-31)41(45)44-34-12-18-37(19-13-34)54-40-20-11-33(42)26-39(40)43/h5-26H,3-4,27-28H2,1-2H3,(H,44,45)/b23-21+,24-22+
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n/an/a 160n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256822
PNG
(CHEMBL4102541)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1
Show InChI InChI=1S/C43H43NO10S2/c1-4-32-8-21-40(22-9-32)54-41-23-15-37(16-24-41)44-43(45)42-29-35(30-50-38-17-10-33(11-18-38)25-27-55(46,47)52-5-2)7-14-36(42)31-51-39-19-12-34(13-20-39)26-28-56(48,49)53-6-3/h7-29H,4-6,30-31H2,1-3H3,(H,44,45)/b27-25+,28-26+
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n/an/a 190n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256861
PNG
(CHEMBL4075069)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3cccc(c3)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C42H38F3NO10S2/c1-3-54-57(48,49)24-22-30-9-16-36(17-10-30)52-28-32-8-13-33(29-53-37-18-11-31(12-19-37)23-25-58(50,51)55-4-2)40(26-32)41(47)46-35-14-20-38(21-15-35)56-39-7-5-6-34(27-39)42(43,44)45/h5-27H,3-4,28-29H2,1-2H3,(H,46,47)/b24-22+,25-23+
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n/an/a 350n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256824
PNG
(CHEMBL4087797)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C41H38ClNO10S2/c1-3-51-54(45,46)25-23-30-6-15-36(16-7-30)49-28-32-5-10-33(29-50-37-17-8-31(9-18-37)24-26-55(47,48)52-4-2)40(27-32)41(44)43-35-13-21-39(22-14-35)53-38-19-11-34(42)12-20-38/h5-27H,3-4,28-29H2,1-2H3,(H,43,44)/b25-23+,26-24+
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n/an/a 400n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256829
PNG
(CHEMBL4076737)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)C(C)C)cc2)cc1
Show InChI InChI=1S/C44H45NO10S2/c1-5-53-56(47,48)27-25-33-8-17-39(18-9-33)51-30-35-7-12-37(31-52-40-19-10-34(11-20-40)26-28-57(49,50)54-6-2)43(29-35)44(46)45-38-15-23-42(24-16-38)55-41-21-13-36(14-22-41)32(3)4/h7-29,32H,5-6,30-31H2,1-4H3,(H,45,46)/b27-25+,28-26+
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n/an/a 750n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256827
PNG
(CHEMBL4087216)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)cc1
Show InChI InChI=1S/C45H41NO10S2/c1-3-54-57(48,49)27-25-33-10-18-40(19-11-33)52-31-35-9-14-38(32-53-41-20-12-34(13-21-41)26-28-58(50,51)55-4-2)44(29-35)45(47)46-39-16-23-42(24-17-39)56-43-22-15-36-7-5-6-8-37(36)30-43/h5-30H,3-4,31-32H2,1-2H3,(H,46,47)/b27-25+,28-26+
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n/an/a 790n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256838
PNG
(CHEMBL4086737)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C42H38F3NO10S2/c1-3-54-57(48,49)25-23-30-6-15-36(16-7-30)52-28-32-5-10-33(29-53-37-17-8-31(9-18-37)24-26-58(50,51)55-4-2)40(27-32)41(47)46-35-13-21-39(22-14-35)56-38-19-11-34(12-20-38)42(43,44)45/h5-27H,3-4,28-29H2,1-2H3,(H,46,47)/b25-23+,26-24+
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n/an/a 820n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256839
PNG
(CHEMBL4070572)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccccc3F)cc2)cc1
Show InChI InChI=1S/C41H38FNO10S2/c1-3-51-54(45,46)25-23-30-10-17-35(18-11-30)49-28-32-9-14-33(29-50-36-19-12-31(13-20-36)24-26-55(47,48)52-4-2)38(27-32)41(44)43-34-15-21-37(22-16-34)53-40-8-6-5-7-39(40)42/h5-27H,3-4,28-29H2,1-2H3,(H,43,44)/b25-23+,26-24+
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n/an/a 850n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256840
PNG
(CHEMBL4079916)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C41H39NO10S2/c1-3-50-53(44,45)26-24-31-11-18-36(19-12-31)48-29-33-10-15-34(30-49-37-20-13-32(14-21-37)25-27-54(46,47)51-4-2)40(28-33)41(43)42-35-16-22-39(23-17-35)52-38-8-6-5-7-9-38/h5-28H,3-4,29-30H2,1-2H3,(H,42,43)/b26-24+,27-25+
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n/an/a 860n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256837
PNG
(CHEMBL4095504)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C42H38F3NO10S2/c1-3-54-57(48,49)25-23-30-10-17-35(18-11-30)52-28-32-9-14-33(29-53-36-19-12-31(13-20-36)24-26-58(50,51)55-4-2)38(27-32)41(47)46-34-15-21-37(22-16-34)56-40-8-6-5-7-39(40)42(43,44)45/h5-27H,3-4,28-29H2,1-2H3,(H,46,47)/b25-23+,26-24+
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n/an/a 870n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256828
PNG
(CHEMBL4074416)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)C(C)(C)C)cc2)cc1
Show InChI InChI=1S/C45H47NO10S2/c1-6-54-57(48,49)28-26-33-9-18-39(19-10-33)52-31-35-8-13-36(32-53-40-20-11-34(12-21-40)27-29-58(50,51)55-7-2)43(30-35)44(47)46-38-16-24-42(25-17-38)56-41-22-14-37(15-23-41)45(3,4)5/h8-30H,6-7,31-32H2,1-5H3,(H,46,47)/b28-26+,29-27+
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n/an/a 910n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50256823
PNG
(CHEMBL4094898)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C47H43NO10S2/c1-3-56-59(50,51)30-28-35-11-20-42(21-12-35)54-33-37-10-15-40(34-55-43-22-13-36(14-23-43)29-31-60(52,53)57-4-2)46(32-37)47(49)48-41-18-26-45(27-19-41)58-44-24-16-39(17-25-44)38-8-6-5-7-9-38/h5-32H,3-4,33-34H2,1-2H3,(H,48,49)/b30-28+,31-29+
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n/an/a 920n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant SHP2 (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50256824
PNG
(CHEMBL4087797)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C41H38ClNO10S2/c1-3-51-54(45,46)25-23-30-6-15-36(16-7-30)49-28-32-5-10-33(29-50-37-17-8-31(9-18-37)24-26-55(47,48)52-4-2)40(27-32)41(44)43-35-13-21-39(22-14-35)53-38-19-11-34(42)12-20-38/h5-27H,3-4,28-29H2,1-2H3,(H,43,44)/b25-23+,26-24+
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n/an/a 940n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant SHP2 (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50256826
PNG
(CHEMBL4066472)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(Br)cc3Cl)cc2)cc1
Show InChI InChI=1S/C41H37BrClNO10S2/c1-3-52-55(46,47)23-21-29-6-14-35(15-7-29)50-27-31-5-10-32(28-51-36-16-8-30(9-17-36)22-24-56(48,49)53-4-2)38(25-31)41(45)44-34-12-18-37(19-13-34)54-40-20-11-33(42)26-39(40)43/h5-26H,3-4,27-28H2,1-2H3,(H,44,45)/b23-21+,24-22+
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n/an/a 1.05E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant SHP2 (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256862
PNG
(CHEMBL4065796)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3cccc(c3)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C47H43NO10S2/c1-3-56-59(50,51)29-27-35-14-21-42(22-15-35)54-33-37-13-18-40(34-55-43-23-16-36(17-24-43)28-30-60(52,53)57-4-2)46(31-37)47(49)48-41-19-25-44(26-20-41)58-45-12-8-11-39(32-45)38-9-6-5-7-10-38/h5-32H,3-4,33-34H2,1-2H3,(H,48,49)/b29-27+,30-28+
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n/an/a 1.10E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256841
PNG
(CHEMBL4096240)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C35H34FNO9S2/c1-3-45-47(39,40)21-19-26-6-15-32(16-7-26)43-24-28-5-10-29(34(23-28)35(38)37-31-13-11-30(36)12-14-31)25-44-33-17-8-27(9-18-33)20-22-48(41,42)46-4-2/h5-23H,3-4,24-25H2,1-2H3,(H,37,38)/b21-19+,22-20+
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n/an/a 1.10E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50256822
PNG
(CHEMBL4102541)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1
Show InChI InChI=1S/C43H43NO10S2/c1-4-32-8-21-40(22-9-32)54-41-23-15-37(16-24-41)44-43(45)42-29-35(30-50-38-17-10-33(11-18-38)25-27-55(46,47)52-5-2)7-14-36(42)31-51-39-19-12-34(13-20-39)26-28-56(48,49)53-6-3/h7-29H,4-6,30-31H2,1-3H3,(H,44,45)/b27-25+,28-26+
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n/an/a 1.10E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant SHP2 (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256825
PNG
(CHEMBL4092866)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)cc2)cc1
Show InChI InChI=1S/C28H30O8S2/c1-3-35-37(29,30)19-17-23-9-13-27(14-10-23)33-21-25-5-7-26(8-6-25)22-34-28-15-11-24(12-16-28)18-20-38(31,32)36-4-2/h5-20H,3-4,21-22H2,1-2H3/b19-17+,20-18+
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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50256823
PNG
(CHEMBL4094898)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C47H43NO10S2/c1-3-56-59(50,51)30-28-35-11-20-42(21-12-35)54-33-37-10-15-40(34-55-43-22-13-36(14-23-43)29-31-60(52,53)57-4-2)46(32-37)47(49)48-41-18-26-45(27-19-41)58-44-24-16-39(17-25-44)38-8-6-5-7-9-38/h5-32H,3-4,33-34H2,1-2H3,(H,48,49)/b30-28+,31-29+
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n/an/a 1.29E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant TCPTP (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256863
PNG
(CHEMBL4104154)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1
Show InChI InChI=1S/C41H38FNO10S2/c1-3-51-54(45,46)25-23-30-6-15-36(16-7-30)49-28-32-5-10-33(29-50-37-17-8-31(9-18-37)24-26-55(47,48)52-4-2)40(27-32)41(44)43-35-13-21-39(22-14-35)53-38-19-11-34(42)12-20-38/h5-27H,3-4,28-29H2,1-2H3,(H,43,44)/b25-23+,26-24+
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n/an/a 1.30E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256856
PNG
(CHEMBL4078186)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C38H41NO9S2/c1-5-47-49(41,42)23-21-29-8-17-35(18-9-29)45-26-31-7-12-33(37(25-31)38(40)39-34-15-13-32(14-16-34)28(3)4)27-46-36-19-10-30(11-20-36)22-24-50(43,44)48-6-2/h7-25,28H,5-6,26-27H2,1-4H3,(H,39,40)/b23-21+,24-22+
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n/an/a 1.30E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256859
PNG
(CHEMBL4100601)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(O)=O)cc1
Show InChI InChI=1S/C29H30O10S2/c1-3-38-40(32,33)17-15-22-6-11-26(12-7-22)36-20-24-5-10-25(28(19-24)29(30)31)21-37-27-13-8-23(9-14-27)16-18-41(34,35)39-4-2/h5-19H,3-4,20-21H2,1-2H3,(H,30,31)/b17-15+,18-16+
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n/an/a 1.30E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50256822
PNG
(CHEMBL4102541)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1
Show InChI InChI=1S/C43H43NO10S2/c1-4-32-8-21-40(22-9-32)54-41-23-15-37(16-24-41)44-43(45)42-29-35(30-50-38-17-10-33(11-18-38)25-27-55(46,47)52-5-2)7-14-36(42)31-51-39-19-12-34(13-20-39)26-28-56(48,49)53-6-3/h7-29H,4-6,30-31H2,1-3H3,(H,44,45)/b27-25+,28-26+
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n/an/a 1.32E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant TCPTP (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256857
PNG
(CHEMBL4098189)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C35H35NO9S2/c1-3-44-46(38,39)22-20-27-11-16-32(17-12-27)42-25-29-10-15-30(34(24-29)35(37)36-31-8-6-5-7-9-31)26-43-33-18-13-28(14-19-33)21-23-47(40,41)45-4-2/h5-24H,3-4,25-26H2,1-2H3,(H,36,37)/b22-20+,23-21+
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n/an/a 1.40E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50256826
PNG
(CHEMBL4066472)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(Br)cc3Cl)cc2)cc1
Show InChI InChI=1S/C41H37BrClNO10S2/c1-3-52-55(46,47)23-21-29-6-14-35(15-7-29)50-27-31-5-10-32(28-51-36-16-8-30(9-17-36)22-24-56(48,49)53-4-2)38(25-31)41(45)44-34-12-18-37(19-13-34)54-40-20-11-33(42)26-39(40)43/h5-26H,3-4,27-28H2,1-2H3,(H,44,45)/b23-21+,24-22+
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n/an/a 1.43E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant TCPTP (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50256861
PNG
(CHEMBL4075069)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3cccc(c3)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C42H38F3NO10S2/c1-3-54-57(48,49)24-22-30-9-16-36(17-10-30)52-28-32-8-13-33(29-53-37-18-11-31(12-19-37)23-25-58(50,51)55-4-2)40(26-32)41(47)46-35-14-20-38(21-15-35)56-39-7-5-6-34(27-39)42(43,44)45/h5-27H,3-4,28-29H2,1-2H3,(H,46,47)/b24-22+,25-23+
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n/an/a 1.62E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant TCPTP (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50256861
PNG
(CHEMBL4075069)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3cccc(c3)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C42H38F3NO10S2/c1-3-54-57(48,49)24-22-30-9-16-36(17-10-30)52-28-32-8-13-33(29-53-37-18-11-31(12-19-37)23-25-58(50,51)55-4-2)40(26-32)41(47)46-35-14-20-38(21-15-35)56-39-7-5-6-34(27-39)42(43,44)45/h5-27H,3-4,28-29H2,1-2H3,(H,46,47)/b24-22+,25-23+
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n/an/a 1.70E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant SHP2 (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256864
PNG
(CHEMBL4062445)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C36H37NO10S2/c1-4-46-48(39,40)22-20-27-7-14-33(15-8-27)44-25-29-6-11-30(35(24-29)36(38)37-31-12-18-32(43-3)19-13-31)26-45-34-16-9-28(10-17-34)21-23-49(41,42)47-5-2/h6-24H,4-5,25-26H2,1-3H3,(H,37,38)/b22-20+,23-21+
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n/an/a 2.60E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50256824
PNG
(CHEMBL4087797)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
Show InChI InChI=1S/C41H38ClNO10S2/c1-3-51-54(45,46)25-23-30-6-15-36(16-7-30)49-28-32-5-10-33(29-50-37-17-8-31(9-18-37)24-26-55(47,48)52-4-2)40(27-32)41(44)43-35-13-21-39(22-14-35)53-38-19-11-34(42)12-20-38/h5-27H,3-4,28-29H2,1-2H3,(H,43,44)/b25-23+,26-24+
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n/an/a 2.97E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant TCPTP (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256818
PNG
(CHEMBL4064092)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCCOc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1
Show InChI InChI=1S/C22H26O8S2/c1-3-29-31(23,24)17-13-19-5-9-21(10-6-19)27-15-16-28-22-11-7-20(8-12-22)14-18-32(25,26)30-4-2/h5-14,17-18H,3-4,15-16H2,1-2H3/b17-13+,18-14+
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n/an/a 3.00E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50256825
PNG
(CHEMBL4092866)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)cc2)cc1
Show InChI InChI=1S/C28H30O8S2/c1-3-35-37(29,30)19-17-23-9-13-27(14-10-23)33-21-25-5-7-26(8-6-25)22-34-28-15-11-24(12-16-28)18-20-38(31,32)36-4-2/h5-20H,3-4,21-22H2,1-2H3/b19-17+,20-18+
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n/an/a 3.39E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant TCPTP (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256876
PNG
(CHEMBL4082589)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)OC)cc1
Show InChI InChI=1S/C30H32O10S2/c1-4-39-41(32,33)18-16-23-7-12-27(13-8-23)37-21-25-6-11-26(29(20-25)30(31)36-3)22-38-28-14-9-24(10-15-28)17-19-42(34,35)40-5-2/h6-20H,4-5,21-22H2,1-3H3/b18-16+,19-17+
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n/an/a 3.40E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50308836
PNG
(3-(3-Chloro-phenyl)-5-[1-(4-hydroxy-3-methoxy-5-ni...)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN2O5S2/c1-25-13-6-9(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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n/an/a 4.10E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GST-tagged PTP1B expressed in Escherichia coli DH5alpha using pNPP as substrate incubated for 15 mins mea...

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50256825
PNG
(CHEMBL4092866)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)cc2)cc1
Show InChI InChI=1S/C28H30O8S2/c1-3-35-37(29,30)19-17-23-9-13-27(14-10-23)33-21-25-5-7-26(8-6-25)22-34-28-15-11-24(12-16-28)18-20-38(31,32)36-4-2/h5-20H,3-4,21-22H2,1-2H3/b19-17+,20-18+
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n/an/a 4.70E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant SHP2 (unknown origin) using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256820
PNG
(CHEMBL4094237)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCOc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1
Show InChI InChI=1S/C21H24O8S2/c1-3-28-30(22,23)15-13-18-5-9-20(10-6-18)26-17-27-21-11-7-19(8-12-21)14-16-31(24,25)29-4-2/h5-16H,3-4,17H2,1-2H3/b15-13+,16-14+
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n/an/a 8.70E+3n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256821
PNG
(CHEMBL4066707)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1
Show InChI InChI=1S/C20H22O7S2/c1-3-25-28(21,22)15-13-17-5-9-19(10-6-17)27-20-11-7-18(8-12-20)14-16-29(23,24)26-4-2/h5-16H,3-4H2,1-2H3/b15-13+,16-14+
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n/an/a 1.18E+4n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256860
PNG
(CHEMBL4077091)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2cccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c2)cc1
Show InChI InChI=1S/C28H30O8S2/c1-3-35-37(29,30)18-16-23-8-12-27(13-9-23)33-21-25-6-5-7-26(20-25)22-34-28-14-10-24(11-15-28)17-19-38(31,32)36-4-2/h5-20H,3-4,21-22H2,1-2H3/b18-16+,19-17+
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n/an/a 1.84E+4n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256816
PNG
(CHEMBL4085118)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OC2CCC(CC2)Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1 |(68.2,-19.45,;66.66,-19.54,;65.81,-18.26,;64.27,-18.35,;64.36,-19.88,;62.99,-19.19,;63.42,-17.07,;61.89,-17.17,;61.03,-15.89,;59.5,-15.98,;58.65,-14.7,;59.34,-13.32,;58.57,-11.98,;57.03,-11.98,;56.26,-13.31,;54.72,-13.31,;53.95,-11.98,;54.72,-10.65,;56.26,-10.65,;52.41,-11.98,;51.64,-10.65,;52.33,-9.27,;51.47,-7.99,;49.93,-8.09,;49.07,-6.82,;49.75,-5.43,;48.89,-4.15,;47.62,-5,;47.52,-3.47,;49.56,-2.77,;48.7,-1.5,;49.38,-.11,;49.26,-9.49,;50.12,-10.76,;60.87,-13.22,;61.72,-14.5,)|
Show InChI InChI=1S/C26H32O8S2/c1-3-31-35(27,28)19-17-21-5-9-23(10-6-21)33-25-13-15-26(16-14-25)34-24-11-7-22(8-12-24)18-20-36(29,30)32-4-2/h5-12,17-20,25-26H,3-4,13-16H2,1-2H3/b19-17+,20-18+
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n/an/a 2.92E+4n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256885
PNG
(CHEMBL4090827)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCCCOc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1
Show InChI InChI=1S/C23H28O8S2/c1-3-30-32(24,25)18-14-20-6-10-22(11-7-20)28-16-5-17-29-23-12-8-21(9-13-23)15-19-33(26,27)31-4-2/h6-15,18-19H,3-5,16-17H2,1-2H3/b18-14+,19-15+
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n/an/a 3.73E+4n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50256817
PNG
(CHEMBL4063490)
Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCCCCOc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1
Show InChI InChI=1S/C24H30O8S2/c1-3-31-33(25,26)19-15-21-7-11-23(12-8-21)29-17-5-6-18-30-24-13-9-22(10-14-24)16-20-34(27,28)32-4-2/h7-16,19-20H,3-6,17-18H2,1-2H3/b19-15+,20-16+
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n/an/a>1.00E+5n/an/an/an/an/an/a



School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins

Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%