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PubMed code 26100442

Compile data set for download or QSAR
Found 17 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))
BDBM13469
PNG
(({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(ph...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r|
Show InChI InChI=1S/C28H29F4N3O9P2/c29-27(30,45(39,40)41)20-10-6-18(7-11-20)14-22(25(33)37)35-26(38)23(15-17-4-2-1-3-5-17)34-24(36)16-19-8-12-21(13-9-19)28(31,32)46(42,43)44/h1-13,22-23H,14-16H2,(H2,33,37)(H,34,36)(H,35,38)(H2,39,40,41)(H2,42,43,44)/t22-,23-/m0/s1
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Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B catalytic domain expressed in Escherichia coli assessed as pNPP hydrolysis measured every 30 secs for 15 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50096221
PNG
(CHEMBL3593819)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C36H53N5O6/c1-6-24(4)33-32(43)22-40-19-13-12-17-30(40)36(46)37-27(15-8-7-9-18-31(42)23(2)3)34(44)38-28(35(45)39-33)20-25-21-41(47-5)29-16-11-10-14-26(25)29/h10-11,14,16,21,23-24,27-28,30,33H,6-9,12-13,15,17-20,22H2,1-5H3,(H,37,46)(H,38,44)(H,39,45)/t24?,27-,28-,30+,33-/m0/s1
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n/an/a 203n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50096225
PNG
(CHEMBL3593821)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C33H47N5O7/c1-4-21(2)30-28(39)20-37-17-11-10-15-27(37)33(44)34-24(13-6-5-7-16-29(40)41)31(42)35-25(32(43)36-30)18-22-19-38(45-3)26-14-9-8-12-23(22)26/h8-9,12,14,19,21,24-25,27,30H,4-7,10-11,13,15-18,20H2,1-3H3,(H,34,44)(H,35,42)(H,36,43)(H,40,41)/t21?,24-,25-,27+,30-/m0/s1
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n/an/a 204n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50096222
PNG
(CHEMBL3593818)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C33H47N5O6/c1-4-22(2)30-29(40)21-37-17-11-10-16-28(37)33(43)34-25(14-7-5-6-12-18-39)31(41)35-26(32(42)36-30)19-23-20-38(44-3)27-15-9-8-13-24(23)27/h8-9,13,15,18,20,22,25-26,28,30H,4-7,10-12,14,16-17,19,21H2,1-3H3,(H,34,43)(H,35,41)(H,36,42)/t22?,25-,26-,28+,30-/m0/s1
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n/an/a 212n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50096223
PNG
(CHEMBL3593817)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C33H47N5O6S/c1-5-21(2)30-29(40)20-37-16-10-8-15-28(37)33(43)34-25(13-9-11-17-45-22(3)39)31(41)35-26(32(42)36-30)18-23-19-38(44-4)27-14-7-6-12-24(23)27/h6-7,12,14,19,21,25-26,28,30H,5,8-11,13,15-18,20H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)/t21?,25-,26-,28+,30-/m0/s1
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n/an/a 309n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50096227
PNG
(CHEMBL3593816)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccccc1
Show InChI InChI=1S/C33H47N5O7/c1-5-21(2)30-28(39)20-37-17-11-10-15-27(37)33(43)34-24(13-7-9-16-29(40)44-3)31(41)35-25(32(42)36-30)18-22-19-38(45-4)26-14-8-6-12-23(22)26/h6,8,12,14,19,21,24-25,27,30H,5,7,9-11,13,15-18,20H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)/t21?,24-,25-,27+,30-/m0/s1
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n/an/a 537n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50096224
PNG
(CHEMBL3593822)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)NCc1ccccc1
Show InChI InChI=1S/C35H51N5O7/c1-5-22(3)32-31(43)21-39-18-12-11-16-28(39)35(46)36-25(14-8-10-17-30(42)29(41)6-2)33(44)37-26(34(45)38-32)19-23-20-40(47-4)27-15-9-7-13-24(23)27/h7,9,13,15,20,22,25-26,28,30,32,42H,5-6,8,10-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22?,25-,26-,28+,30?,32-/m0/s1
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n/an/a 756n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50096222
PNG
(CHEMBL3593818)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C33H47N5O6/c1-4-22(2)30-29(40)21-37-17-11-10-16-28(37)33(43)34-25(14-7-5-6-12-18-39)31(41)35-26(32(42)36-30)19-23-20-38(44-3)27-15-9-8-13-24(23)27/h8-9,13,15,18,20,22,25-26,28,30H,4-7,10-12,14,16-17,19,21H2,1-3H3,(H,34,43)(H,35,41)(H,36,42)/t22?,25-,26-,28+,30-/m0/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin) assessed as pNPP hydrolysis after 30 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
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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n/an/a 1.54E+3n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM50096222
PNG
(CHEMBL3593818)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C33H47N5O6/c1-4-22(2)30-29(40)21-37-17-11-10-16-28(37)33(43)34-25(14-7-5-6-12-18-39)31(41)35-26(32(42)36-30)19-23-20-38(44-3)27-15-9-8-13-24(23)27/h8-9,13,15,18,20,22,25-26,28,30H,4-7,10-12,14,16-17,19,21H2,1-3H3,(H,34,43)(H,35,41)(H,36,42)/t22?,25-,26-,28+,30-/m0/s1
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n/an/a 2.31E+3n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) using pNPP as substrate


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50096226
PNG
(CHEMBL3593820)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1cccc(OC)c1
Show InChI InChI=1S/C35H49N5O7/c1-5-21(3)31-29(42)20-39-17-10-9-15-27(39)35(45)36-24(13-11-16-30-32(47-30)28(41)6-2)33(43)37-25(34(44)38-31)18-22-19-40(46-4)26-14-8-7-12-23(22)26/h7-8,12,14,19,21,24-25,27,30-32H,5-6,9-11,13,15-18,20H2,1-4H3,(H,36,45)(H,37,43)(H,38,44)/t21?,24-,25-,27+,30?,31-,32?/m0/s1
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n/an/a 2.73E+3n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) assessed as pNPP hydrolysis after 30 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50096223
PNG
(CHEMBL3593817)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C33H47N5O6S/c1-5-21(2)30-29(40)20-37-16-10-8-15-28(37)33(43)34-25(13-9-11-17-45-22(3)39)31(41)35-26(32(42)36-30)18-23-19-38(44-4)27-14-7-6-12-24(23)27/h6-7,12,14,19,21,25-26,28,30H,5,8-11,13,15-18,20H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)/t21?,25-,26-,28+,30-/m0/s1
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n/an/a 5.19E+3n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin) assessed as pNPP hydrolysis after 30 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(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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n/an/a 5.46E+3n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin) assessed as pNPP hydrolysis after 30 mins


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM50096221
PNG
(CHEMBL3593819)
Show SMILES CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C36H53N5O6/c1-6-24(4)33-32(43)22-40-19-13-12-17-30(40)36(46)37-27(15-8-7-9-18-31(42)23(2)3)34(44)38-28(35(45)39-33)20-25-21-41(47-5)29-16-11-10-14-26(25)29/h10-11,14,16,21,23-24,27-28,30,33H,6-9,12-13,15,17-20,22H2,1-5H3,(H,37,46)(H,38,44)(H,39,45)/t24?,27-,28-,30+,33-/m0/s1
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n/an/a 9.08E+3n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) using pNPP as substrate


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(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 1.16E+4n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using pNPP as substrate


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6


(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 1.42E+4n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin) using pNPP as substrate


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F


(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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Article
PubMed
n/an/a 2.23E+4n/an/an/an/an/an/a



Qilu University of Technology

Curated by ChEMBL


Assay Description
Inhibition of LAR (unknown origin) using pNPP as substrate


Bioorg Med Chem 23: 4891-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.032
BindingDB Entry DOI: 10.7270/Q28917N0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%