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PubMed code 14611854

Compile data set for download or QSAR
Found 18 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
Serine-threonine protein phosphatase 2A regulatory subunit


(Gallus gallus)
BDBM50061067
PNG
(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O
Show InChI InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 2A using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Protein phosphatase 2C alpha


(Homo sapiens)
BDBM50061067
PNG
(15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O
Show InChI InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Serine-threonine protein phosphatase 2A regulatory subunit


(Gallus gallus)
BDBM50135676
PNG
((S)-2-[(R)-2-(2-{[(R)-4-((4E,6E)-(2S,3S,8S,9S)-3-A...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O)C(O)=O
Show InChI InChI=1S/C40H59N5O10/c1-23(2)20-33(40(53)54)44-37(49)27(6)41-38(50)28(7)45(9)35(47)19-18-32(39(51)52)43-36(48)26(5)31(42-29(8)46)17-16-24(3)21-25(4)34(55-10)22-30-14-12-11-13-15-30/h11-17,21,23,25-27,31-34H,7,18-20,22H2,1-6,8-10H3,(H,41,50)(H,42,46)(H,43,48)(H,44,49)(H,51,52)(H,53,54)/b17-16+,24-21+/t25-,26-,27+,31-,32+,33-,34-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 2A using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Serine-threonine protein phosphatase 2A regulatory subunit


(Gallus gallus)
BDBM50135679
PNG
((S)-2-[(R)-2-(2-{[(R)-4-((4E,6E)-(2S,3S,8S,9S)-3-A...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O)C(O)=O
Show InChI InChI=1S/C39H59N5O10/c1-23(2)19-32(39(52)53)43-37(49)27(6)40-34(46)22-44(8)35(47)18-17-31(38(50)51)42-36(48)26(5)30(41-28(7)45)16-15-24(3)20-25(4)33(54-9)21-29-13-11-10-12-14-29/h10-16,20,23,25-27,30-33H,17-19,21-22H2,1-9H3,(H,40,46)(H,41,45)(H,42,48)(H,43,49)(H,50,51)(H,52,53)/b16-15+,24-20+/t25-,26-,27+,30-,31+,32-,33-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 2A using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Serine-threonine protein phosphatase 2A regulatory subunit


(Gallus gallus)
BDBM50135677
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C)C(O)=O
Show InChI InChI=1S/C29H43N3O6/c1-19(17-20(2)26(38-7)18-23-11-9-8-10-12-23)13-14-24(30-22(4)33)21(3)28(35)31-25(29(36)37)15-16-27(34)32(5)6/h8-14,17,20-21,24-26H,15-16,18H2,1-7H3,(H,30,33)(H,31,35)(H,36,37)/b14-13+,19-17+/t20-,21-,24-,25+,26-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 2A using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Serine-threonine protein phosphatase 2A regulatory subunit


(Gallus gallus)
BDBM50135681
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Amino-9-methoxy-2,6...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](N)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(O)=O)C(O)=O
Show InChI InChI=1S/C32H46N4O8/c1-19(17-20(2)27(44-7)18-24-11-9-8-10-12-24)13-14-25(33)21(3)29(38)35-26(32(42)43)15-16-28(37)36(6)23(5)30(39)34-22(4)31(40)41/h8-14,17,20-22,25-27H,5,15-16,18,33H2,1-4,6-7H3,(H,34,39)(H,35,38)(H,40,41)(H,42,43)/b14-13+,19-17+/t20-,21-,22+,25-,26+,27-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 2A using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Serine-threonine protein phosphatase 2A regulatory subunit


(Gallus gallus)
BDBM50135675
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(O)=O)C(O)=O
Show InChI InChI=1S/C34H48N4O9/c1-20(18-21(2)29(47-8)19-26-12-10-9-11-13-26)14-15-27(36-25(6)39)22(3)31(41)37-28(34(45)46)16-17-30(40)38(7)24(5)32(42)35-23(4)33(43)44/h9-15,18,21-23,27-29H,5,16-17,19H2,1-4,6-8H3,(H,35,42)(H,36,39)(H,37,41)(H,43,44)(H,45,46)/b15-14+,20-18+/t21-,22-,23+,27-,28+,29-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 2A using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Protein phosphatase 2C alpha


(Homo sapiens)
BDBM50135681
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Amino-9-methoxy-2,6...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](N)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(O)=O)C(O)=O
Show InChI InChI=1S/C32H46N4O8/c1-19(17-20(2)27(44-7)18-24-11-9-8-10-12-24)13-14-25(33)21(3)29(38)35-26(32(42)43)15-16-28(37)36(6)23(5)30(39)34-22(4)31(40)41/h8-14,17,20-22,25-27H,5,15-16,18,33H2,1-4,6-7H3,(H,34,39)(H,35,38)(H,40,41)(H,42,43)/b14-13+,19-17+/t20-,21-,22+,25-,26+,27-/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Protein phosphatase 2C alpha


(Homo sapiens)
BDBM50135676
PNG
((S)-2-[(R)-2-(2-{[(R)-4-((4E,6E)-(2S,3S,8S,9S)-3-A...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O)C(O)=O
Show InChI InChI=1S/C40H59N5O10/c1-23(2)20-33(40(53)54)44-37(49)27(6)41-38(50)28(7)45(9)35(47)19-18-32(39(51)52)43-36(48)26(5)31(42-29(8)46)17-16-24(3)21-25(4)34(55-10)22-30-14-12-11-13-15-30/h11-17,21,23,25-27,31-34H,7,18-20,22H2,1-6,8-10H3,(H,41,50)(H,42,46)(H,43,48)(H,44,49)(H,51,52)(H,53,54)/b17-16+,24-21+/t25-,26-,27+,31-,32+,33-,34-/m0/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Protein phosphatase 2C alpha


(Homo sapiens)
BDBM50135680
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C)C(=O)OC
Show InChI InChI=1S/C30H45N3O6/c1-20(18-21(2)27(38-7)19-24-12-10-9-11-13-24)14-15-25(31-23(4)34)22(3)29(36)32-26(30(37)39-8)16-17-28(35)33(5)6/h9-15,18,21-22,25-27H,16-17,19H2,1-8H3,(H,31,34)(H,32,36)/b15-14+,20-18+/t21-,22-,25-,26+,27-/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
Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Serine-threonine protein phosphatase 2A regulatory subunit


(Gallus gallus)
BDBM50135680
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C)C(=O)OC
Show InChI InChI=1S/C30H45N3O6/c1-20(18-21(2)27(38-7)19-24-12-10-9-11-13-24)14-15-25(31-23(4)34)22(3)29(36)32-26(30(37)39-8)16-17-28(35)33(5)6/h9-15,18,21-22,25-27H,16-17,19H2,1-8H3,(H,31,34)(H,32,36)/b15-14+,20-18+/t21-,22-,25-,26+,27-/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
Inhibitory concentration of the compound required against protein phosphatase 2A using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Protein phosphatase 2C alpha


(Homo sapiens)
BDBM50135677
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C)C(O)=O
Show InChI InChI=1S/C29H43N3O6/c1-19(17-20(2)26(38-7)18-23-11-9-8-10-12-23)13-14-24(30-22(4)33)21(3)28(35)31-25(29(36)37)15-16-27(34)32(5)6/h8-14,17,20-21,24-26H,15-16,18H2,1-7H3,(H,30,33)(H,31,35)(H,36,37)/b14-13+,19-17+/t20-,21-,24-,25+,26-/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
Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Serine-threonine protein phosphatase 2A regulatory subunit


(Gallus gallus)
BDBM50135674
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)CC(=O)N[C@H](C)C(O)=O)C(O)=O
Show InChI InChI=1S/C33H48N4O9/c1-20(17-21(2)28(46-7)18-25-11-9-8-10-12-25)13-14-26(35-24(5)38)22(3)31(41)36-27(33(44)45)15-16-30(40)37(6)19-29(39)34-23(4)32(42)43/h8-14,17,21-23,26-28H,15-16,18-19H2,1-7H3,(H,34,39)(H,35,38)(H,36,41)(H,42,43)(H,44,45)/b14-13+,20-17+/t21-,22-,23+,26-,27+,28-/m0/s1
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n/an/a 1.35E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 2A using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Protein phosphatase 2C alpha


(Homo sapiens)
BDBM50135675
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(O)=O)C(O)=O
Show InChI InChI=1S/C34H48N4O9/c1-20(18-21(2)29(47-8)19-26-12-10-9-11-13-26)14-15-27(36-25(6)39)22(3)31(41)37-28(34(45)46)16-17-30(40)38(7)24(5)32(42)35-23(4)33(43)44/h9-15,18,21-23,27-29H,5,16-17,19H2,1-4,6-8H3,(H,35,42)(H,36,39)(H,37,41)(H,43,44)(H,45,46)/b15-14+,20-18+/t21-,22-,23+,27-,28+,29-/m0/s1
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n/an/a 1.40E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Protein phosphatase 2C alpha


(Homo sapiens)
BDBM50135679
PNG
((S)-2-[(R)-2-(2-{[(R)-4-((4E,6E)-(2S,3S,8S,9S)-3-A...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O)C(O)=O
Show InChI InChI=1S/C39H59N5O10/c1-23(2)19-32(39(52)53)43-37(49)27(6)40-34(46)22-44(8)35(47)18-17-31(38(50)51)42-36(48)26(5)30(41-28(7)45)16-15-24(3)20-25(4)33(54-9)21-29-13-11-10-12-14-29/h10-16,20,23,25-27,30-33H,17-19,21-22H2,1-9H3,(H,40,46)(H,41,45)(H,42,48)(H,43,49)(H,50,51)(H,52,53)/b16-15+,24-20+/t25-,26-,27+,30-,31+,32-,33-/m0/s1
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n/an/a 2.30E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Serine-threonine protein phosphatase 2A regulatory subunit


(Gallus gallus)
BDBM50135678
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Amino-9-methoxy-2,6...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](N)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)CC(=O)N[C@H](C)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H46N4O8/c1-19(16-20(2)26(43-6)17-23-10-8-7-9-11-23)12-13-24(32)21(3)29(38)34-25(31(41)42)14-15-28(37)35(5)18-27(36)33-22(4)30(39)40/h7-13,16,20-22,24-26H,14-15,17-18,32H2,1-6H3,(H,33,36)(H,34,38)(H,39,40)(H,41,42)/b13-12+,19-16+/t20-,21-,22+,24-,25+,26-/m0/s1
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n/an/a 2.70E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 2A using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Protein phosphatase 2C alpha


(Homo sapiens)
BDBM50135678
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Amino-9-methoxy-2,6...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](N)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)CC(=O)N[C@H](C)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H46N4O8/c1-19(16-20(2)26(43-6)17-23-10-8-7-9-11-23)12-13-24(32)21(3)29(38)34-25(31(41)42)14-15-28(37)35(5)18-27(36)33-22(4)30(39)40/h7-13,16,20-22,24-26H,14-15,17-18,32H2,1-6H3,(H,33,36)(H,34,38)(H,39,40)(H,41,42)/b13-12+,19-16+/t20-,21-,22+,24-,25+,26-/m0/s1
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n/an/a 2.80E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
Protein phosphatase 2C alpha


(Homo sapiens)
BDBM50135674
PNG
((R)-2-((4E,6E)-(2S,3S,8S,9S)-3-Acetylamino-9-metho...)
Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](CCC(=O)N(C)CC(=O)N[C@H](C)C(O)=O)C(O)=O
Show InChI InChI=1S/C33H48N4O9/c1-20(17-21(2)28(46-7)18-25-11-9-8-10-12-25)13-14-26(35-24(5)38)22(3)31(41)36-27(33(44)45)15-16-30(40)37(6)19-29(39)34-23(4)32(42)43/h8-14,17,21-23,26-28H,15-16,18-19H2,1-7H3,(H,34,39)(H,35,38)(H,36,41)(H,42,43)(H,44,45)/b14-13+,20-17+/t21-,22-,23+,26-,27+,28-/m0/s1
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n/an/a 4.00E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against protein phosphatase 1 using pNPP assay


Bioorg Med Chem Lett 13: 2903-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00589-4
BindingDB Entry DOI: 10.7270/Q2X63MB4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%