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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein phosphatase 2A activator' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM199180
PNG
(US9217012, 10)
Show SMILES CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)COC1CC(C)CCC1C(C)C)C(N)=O
Show InChI InChI=1/C46H62F2N5O9P/c1-5-31-15-19-34(20-16-31)43(56)50-24-10-9-13-37(42(49)55)52-45(58)39(27-33-17-21-35(22-18-33)46(47,48)63(59,60)61)53-44(57)38(26-32-11-7-6-8-12-32)51-41(54)28-62-40-25-30(4)14-23-36(40)29(2)3/h6-8,11-12,15-22,29-30,36-40H,5,9-10,13-14,23-28H2,1-4H3,(H2,49,55)(H,50,56)(H,51,54)(H,52,58)(H,53,57)(H2,59,60,61)
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US Patent
>1.00E+3n/an/an/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in DMG buffer (50 mM DMG, pH 7.0, 1 mM EDTA, 150 mM NaCl, 2 mM DTT, 0.1 ...


US Patent US9217012 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40787
PNG
(Des-N-methylcalyculin A (20))
Show SMILES CN[C@@H](COC)C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1
Show InChI InChI=1S/C49H79N4O15P/c1-28(19-21-50)15-13-16-29(2)31(4)23-32(5)41(56)34(7)37(54)24-40(64-12)44-45(68-69(60,61)62)48(8,9)49(67-44)25-38(55)33(6)39(66-49)18-14-17-35-26-65-47(53-35)30(3)20-22-52-46(59)43(58)42(57)36(51-10)27-63-11/h13-17,19,23,26,30,32-34,36-45,51,54-58H,18,20,22,24-25,27H2,1-12H3,(H,52,59)(H2,60,61,62)/b15-13+,17-14+,28-19+,29-16+,31-23+/t30?,32?,33-,34?,36-,37-,38+,39?,40-,41+,42?,43-,44+,45-,49?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40776
PNG
(Calyculin A (4) | Calyculin B (19) | Calyculin E (...)
Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C
Show InChI InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20+,30-17+,32-24+/t31?,33?,34-,35?,37-,38-,39+,40?,41-,42+,43?,44-,45+,46-,50?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40777
PNG
(Hemicalyculin A (5))
Show SMILES CO[C@@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)[C@H]1OC2(C[C@@H](O)[C@H](C)C(C\C=C\C#N)O2)C(C)(C)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C36H55N2O10P/c1-22(16-18-38)13-12-14-23(2)24(3)19-25(4)32(41)27(6)28(39)20-31(45-9)33-34(48-49(42,43)44)35(7,8)36(47-33)21-29(40)26(5)30(46-36)15-10-11-17-37/h10-14,16,19,25-34,39-41H,15,20-21H2,1-9H3,(H2,42,43,44)/b11-10+,13-12+,22-16+,23-14+,24-19+/t25?,26-,27?,28-,29+,30?,31-,32+,33+,34-,36?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40782
PNG
(C1/C34-Calyculin A (15))
Show SMILES CO[C@@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)[C@H]1OC2(C[C@@H](O)[C@H](C)C(C\C=C\c3coc(n3)C(C)CCNC(=O)CO)O2)C(C)(C)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C44H68N3O13P/c1-26(17-19-45)13-11-14-27(2)29(4)21-30(5)39(52)32(7)34(49)22-37(56-10)40-41(60-61(53,54)55)43(8,9)44(59-40)23-35(50)31(6)36(58-44)16-12-15-33-25-57-42(47-33)28(3)18-20-46-38(51)24-48/h11-15,17,21,25,28,30-32,34-37,39-41,48-50,52H,16,18,20,22-24H2,1-10H3,(H,46,51)(H2,53,54,55)/b13-11+,15-12+,26-17+,27-14+,29-21+/t28?,30?,31-,32?,34-,35+,36?,37-,39+,40+,41-,44?/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40785
PNG
(Calyculinamide A (18))
Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C(N)=O)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C
Show InChI InChI=1S/C50H83N4O16P/c1-28(22-41(51)57)16-14-17-29(2)31(4)23-32(5)42(58)34(7)37(55)24-40(66-13)45-46(70-71(62,63)64)49(8,9)50(69-45)25-38(56)33(6)39(68-50)19-15-18-35-26-67-48(53-35)30(3)20-21-52-47(61)44(60)43(59)36(27-65-12)54(10)11/h14-18,22-23,26,30,32-34,36-40,42-46,55-56,58-60H,19-21,24-25,27H2,1-13H3,(H2,51,57)(H,52,61)(H2,62,63,64)/b16-14+,18-15+,28-22+,29-17+,31-23+/t30?,32?,33-,34?,36-,37-,38+,39?,40-,42+,43?,44-,45+,46-,50?/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40780
PNG
(Calyculin A 21-acetate (13))
Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](OC(C)=O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C
Show InChI InChI=1S/C52H83N4O16P/c1-30(21-23-53)17-15-18-31(2)33(4)25-34(5)44(59)35(6)40(58)26-42(67-14)47-48(72-73(63,64)65)51(9,10)52(71-47)27-43(69-37(8)57)36(7)41(70-52)20-16-19-38-28-68-50(55-38)32(3)22-24-54-49(62)46(61)45(60)39(29-66-13)56(11)12/h15-19,21,25,28,32,34-36,39-48,58-61H,20,22,24,26-27,29H2,1-14H3,(H,54,62)(H2,63,64,65)/b17-15+,19-16+,30-21+,31-18+,33-25+/t32?,34?,35?,36-,39+,40+,41?,42+,43-,44-,45?,46+,47-,48+,52?/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40790
PNG
(Calyculin C (24))
Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NC(C)CC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C
Show InChI InChI=1S/C51H83N4O15P/c1-29(21-22-52)17-15-18-30(2)31(3)23-32(4)43(58)36(8)39(56)25-42(66-14)46-47(70-71(62,63)64)50(9,10)51(69-46)26-40(57)35(7)41(68-51)20-16-19-37-27-67-49(54-37)33(5)24-34(6)53-48(61)45(60)44(59)38(28-65-13)55(11)12/h15-19,21,23,27,32-36,38-47,56-60H,20,24-26,28H2,1-14H3,(H,53,61)(H2,62,63,64)/b17-15+,19-16+,29-21+,30-18+,31-23+/t32?,33?,34?,35-,36?,38-,39-,40+,41?,42-,43+,44?,45-,46+,47-,51?/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40776
PNG
(Calyculin A (4) | Calyculin B (19) | Calyculin E (...)
Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C
Show InChI InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20+,30-17+,32-24+/t31?,33?,34-,35?,37-,38-,39+,40?,41-,42+,43?,44-,45+,46-,50?/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40776
PNG
(Calyculin A (4) | Calyculin B (19) | Calyculin E (...)
Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C
Show InChI InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20+,30-17+,32-24+/t31?,33?,34-,35?,37-,38-,39+,40?,41-,42+,43?,44-,45+,46-,50?/m0/s1
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n/an/a 9n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40776
PNG
(Calyculin A (4) | Calyculin B (19) | Calyculin E (...)
Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C
Show InChI InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20+,30-17+,32-24+/t31?,33?,34-,35?,37-,38-,39+,40?,41-,42+,43?,44-,45+,46-,50?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40781
PNG
(Calyculin J (14))
Show SMILES CC[C@H](O)CC1(OCC\C=C\c2coc(n2)C(C)CCNC(=O)[C@@H](O)C(O)[C@H](COC)N(C)C)O[C@H]([C@H](C[C@H](O)C(C)C2OC(C)([C@H](Br)[C@H]2C)C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C1(C)C
Show InChI InChI=1S/C50H82BrN4O15P/c1-14-36(56)27-50(67-25-16-15-20-35-28-66-47(54-35)31(3)22-24-53-46(60)41(59)40(58)37(29-64-12)55(10)11)48(7,8)45(70-71(61,62)63)43(69-50)39(65-13)26-38(57)33(5)42-34(6)44(51)49(9,68-42)32(4)19-17-18-30(2)21-23-52/h15,17-21,28,31,33-34,36-45,56-59H,14,16,22,24-27,29H2,1-13H3,(H,53,60)(H2,61,62,63)/b18-17+,20-15+,30-21+,32-19+/t31?,33?,34-,36-,37-,38-,39-,40?,41-,42?,43+,44+,45-,49?,50?/m0/s1
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n/an/a 20n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM50127377
PNG
(10-[3,9-dimethyl-8-(3-methyl-4-oxopentyl)-(9R)-1,7...)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@H](O)C1=C(C)C(=O)OC1=O)C(C)C
Show InChI InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31-,32+,33-,36+,37-,38-,41+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibition of protein phosphatase 2A (PP2A) was determined by standard phosphorylase a inhibition assay


Bioorg Med Chem Lett 13: 1597-600 (2003)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM50127375
PNG
((E)-(R)-4-Hydroxy-2-methyl-hex-2-enedioic acid 6-{...)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)\C=C(/C)C(O)=O)C(C)C
Show InChI InChI=1S/C40H68O12/c1-22(2)36(50-35(46)20-30(42)19-27(7)39(47)48)38(49-10)33(45)21-32(44)28(8)31(43)13-11-25(5)37-26(6)16-18-40(52-37)17-15-24(4)34(51-40)14-12-23(3)29(9)41/h19,22-26,28,30-31,33-34,36-38,42-43,45H,11-18,20-21H2,1-10H3,(H,47,48)/b27-19+/t23-,24+,25+,26-,28-,30-,31-,33+,34-,36+,37-,38-,40+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibition of protein phosphatase 2A (PP2A) was determined by standard phosphorylase a inhibition assay


Bioorg Med Chem Lett 13: 1597-600 (2003)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM50366883
PNG
(TAUTOMYCIN)
Show SMILES CO[C@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C
Show InChI InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibition of protein phosphatase 2A (PP2A) was determined by standard phosphorylase a inhibition assay


Bioorg Med Chem Lett 13: 1597-600 (2003)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40779
PNG
(Calyculin A 11,13,21-triacetate (12))
Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](OC(C)=O)[C@@H]2C)O[C@H]([C@H](C[C@H](OC(C)=O)C(C)[C@H](OC(C)=O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C
Show InChI InChI=1S/C56H87N4O18P/c1-32(23-25-57)19-17-20-33(2)35(4)27-36(5)50(75-41(10)63)38(7)45(73-39(8)61)28-46(71-16)51-52(78-79(67,68)69)55(11,12)56(77-51)29-47(74-40(9)62)37(6)44(76-56)22-18-21-42-30-72-54(59-42)34(3)24-26-58-53(66)49(65)48(64)43(31-70-15)60(13)14/h17-21,23,27,30,34,36-38,43-52,64-65H,22,24,26,28-29,31H2,1-16H3,(H,58,66)(H2,67,68,69)/b19-17+,21-18+,32-23+,33-20+,35-27+/t34?,36?,37-,38?,43+,44?,45+,46+,47-,48?,49+,50-,51-,52+,56?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40778
PNG
(11,13-O-isopropylidene-calyculin A (6))
Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@@H]2OC(C)(C)O[C@H](C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)C2C)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C
Show InChI InChI=1S/C53H85N4O15P/c1-31(22-24-54)18-16-19-32(2)34(4)26-35(5)46-37(7)42(68-52(10,11)70-46)27-43(66-15)47-48(72-73(62,63)64)51(8,9)53(71-47)28-40(58)36(6)41(69-53)21-17-20-38-29-67-50(56-38)33(3)23-25-55-49(61)45(60)44(59)39(30-65-14)57(12)13/h16-20,22,26,29,33,35-37,39-48,58-60H,21,23,25,27-28,30H2,1-15H3,(H,55,61)(H2,62,63,64)/b18-16+,20-17+,31-22+,32-19+,34-26+/t33?,35?,36-,37?,39-,40+,41?,42-,43-,44?,45-,46+,47+,48-,53?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40783
PNG
(C9/C35-calyculin (16))
Show SMILES CO[C@@H](C[C@H](O)C(C)[C@H](O)C(C)CO)[C@H]1OC2(C[C@@H](O)[C@H](C)C(CCO)O2)C(C)(C)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C23H45O12P/c1-12(11-25)19(28)14(3)15(26)9-18(32-6)20-21(35-36(29,30)31)22(4,5)23(34-20)10-16(27)13(2)17(33-23)7-8-24/h12-21,24-28H,7-11H2,1-6H3,(H2,29,30,31)/t12?,13-,14?,15-,16+,17?,18-,19+,20+,21-,23?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM40784
PNG
(Dephosphonocalyculin A (17))
Show SMILES COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](O)C3(C)C)co1)N(C)C
Show InChI InChI=1S/C50H80N4O12/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(63-13)45-46(60)49(8,9)50(66-45)26-39(56)34(6)40(65-50)19-15-18-36-27-64-48(53-36)31(3)21-23-52-47(61)44(59)43(58)37(28-62-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-60H,19,21,23,25-26,28H2,1-13H3,(H,52,61)/b16-14+,18-15+,29-20+,30-17+,32-24+/t31?,33?,34-,35?,37-,38-,39+,40?,41-,42+,43?,44-,45+,46-,50?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Protein phosphatase inhibitory activity of calyculin derivatives.


Chem Biol 9: 309-19 (2002)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM50307997
PNG
(2-(2-Carboxy-benzoylamino)-4-(30-chloro-40-fluorob...)
Show SMILES CCOC(=O)c1c(NC(=O)c2ccccc2C(O)=O)scc1-c1ccc(cc1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C27H19ClFNO5S/c1-2-35-27(34)23-20(16-9-7-15(8-10-16)17-11-12-22(29)21(28)13-17)14-36-25(23)30-24(31)18-5-3-4-6-19(18)26(32)33/h3-14H,2H2,1H3,(H,30,31)(H,32,33)
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n/an/a 2.31E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTPalpha expressed in Escherichia coli BL21 (DE3) after 10 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM50127378
PNG
((S)-2-Hydroxy-2-methyl-succinic acid 4-{(1R,2S,3R,...)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@](C)(O)C(O)=O)C(C)C
Show InChI InChI=1S/C38H66O12/c1-21(2)33(48-32(43)20-37(9,46)36(44)45)35(47-10)30(42)19-29(41)26(7)28(40)13-11-24(5)34-25(6)16-18-38(50-34)17-15-23(4)31(49-38)14-12-22(3)27(8)39/h21-26,28,30-31,33-35,40,42,46H,11-20H2,1-10H3,(H,44,45)/t22-,23+,24+,25-,26-,28-,30+,31-,33+,34-,35-,37-,38+/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibition of protein phosphatase 2A (PP2A) was determined by standard phosphorylase a inhibition assay


Bioorg Med Chem Lett 13: 1597-600 (2003)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM50307999
PNG
(4-Biphenyl-4-yl-2-(2-carboxy-benzoylamino)-5-methy...)
Show SMILES CCOC(=O)c1c(NC(=O)c2ccccc2C(O)=O)scc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H21NO5S/c1-2-33-27(32)23-22(19-14-12-18(13-15-19)17-8-4-3-5-9-17)16-34-25(23)28-24(29)20-10-6-7-11-21(20)26(30)31/h3-16H,2H2,1H3,(H,28,29)(H,30,31)
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n/an/a 4.97E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTPalpha expressed in Escherichia coli BL21 (DE3) after 10 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM50127376
PNG
((R)-2-Hydroxy-2-methyl-succinic acid 4-{(1R,2S,3R,...)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@](C)(O)C(O)=O)C(C)C
Show InChI InChI=1S/C38H66O12/c1-21(2)33(48-32(43)20-37(9,46)36(44)45)35(47-10)30(42)19-29(41)26(7)28(40)13-11-24(5)34-25(6)16-18-38(50-34)17-15-23(4)31(49-38)14-12-22(3)27(8)39/h21-26,28,30-31,33-35,40,42,46H,11-20H2,1-10H3,(H,44,45)/t22-,23+,24+,25-,26-,28-,30+,31-,33+,34-,35-,37+,38+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibition of protein phosphatase 2A (PP2A) was determined by standard phosphorylase a inhibition assay


Bioorg Med Chem Lett 13: 1597-600 (2003)

More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM50307989
PNG
(4-Biphenyl-4-yl-2-[(3-carboxy-bicyclo[2.2.1]hept-5...)
Show SMILES CC(C)OC(=O)c1c(NC(=O)C2C3CC(C=C3)C2C(O)=O)scc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C29H27NO5S/c1-16(2)35-29(34)25-22(19-10-8-18(9-11-19)17-6-4-3-5-7-17)15-36-27(25)30-26(31)23-20-12-13-21(14-20)24(23)28(32)33/h3-13,15-16,20-21,23-24H,14H2,1-2H3,(H,30,31)(H,32,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTPalpha expressed in Escherichia coli BL21 (DE3) after 10 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM50307990
PNG
(2-[(3-Carboxy-bicyclo[2.2.1]hept-5-ene-2-carbonyl)...)
Show SMILES CC(C)OC(=O)c1c(NC(=O)C2C3CC(C=C3)C2C(O)=O)scc1-c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H26ClNO5S/c1-15(2)36-29(35)25-22(18-5-3-16(4-6-18)17-9-11-21(30)12-10-17)14-37-27(25)31-26(32)23-19-7-8-20(13-19)24(23)28(33)34/h3-12,14-15,19-20,23-24H,13H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTPalpha expressed in Escherichia coli BL21 (DE3) after 10 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM50308000
PNG
(3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(thiazo...)
Show SMILES CCc1oc2cc(ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C20H14Br2N2O5S2/c1-2-15-17(18(25)10-7-13(21)19(26)14(22)8-10)12-4-3-11(9-16(12)29-15)31(27,28)24-20-23-5-6-30-20/h3-9,26H,2H2,1H3,(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTPalpha expressed in Escherichia coli BL21 (DE3) after 10 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase 2A activator


(Homo sapiens (Human))
BDBM50127379
PNG
(4-Phosphono-butyric acid (1R,2S,3R,6S,7S,10R)-10-[...)
Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)CCCP(O)(O)=O)C(C)C
Show InChI InChI=1S/C37H67O12P/c1-22(2)34(47-33(42)11-10-20-50(43,44)45)36(46-9)31(41)21-30(40)27(7)29(39)14-12-25(5)35-26(6)17-19-37(49-35)18-16-24(4)32(48-37)15-13-23(3)28(8)38/h22-27,29,31-32,34-36,39,41H,10-21H2,1-9H3,(H2,43,44,45)/t23-,24+,25+,26-,27-,29-,31+,32-,34+,35-,36-,37+/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibition of protein phosphatase 2A (PP2A) was determined by standard phosphorylase a inhibition assay


Bioorg Med Chem Lett 13: 1597-600 (2003)

More data for this
Ligand-Target Pair