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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 6361   
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
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM124256
PNG
((3S,3aR,4S,7aS)-4-acetyl-7-dodecyl-3-methyl-1-oxo-...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=CC2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33?,35+,36+,39-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM124255
PNG
((3S,3aR,4S,7R,7aS)-4-acetyl-7-dodecyl-3-methyl-1-o...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=C[C@H]2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33+,35+,36+,39-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM124255
PNG
((3S,3aR,4S,7R,7aS)-4-acetyl-7-dodecyl-3-methyl-1-o...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=C[C@H]2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33+,35+,36+,39-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM124256
PNG
((3S,3aR,4S,7aS)-4-acetyl-7-dodecyl-3-methyl-1-oxo-...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=CC2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33?,35+,36+,39-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM124257
PNG
(Paracaseolide A (13))
Show SMILES CCCCCCCCCCCC\C=C\[C@@]12[C@H]3[C@H]4C(=C[C@H]1CCCCCCCCCCCC)C(=O)O[C@@]4(C)O[C@@]3(C)OC2=O |r,c:17|
Show InChI InChI=1S/C38H62O5/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-38-30(27-25-23-21-19-16-14-12-10-8-6-2)29-31-32-33(38)37(4,42-35(38)40)43-36(32,3)41-34(31)39/h26,28-30,32-33H,5-25,27H2,1-4H3/b28-26+/t30-,32-,33+,36+,37-,38+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM124256
PNG
((3S,3aR,4S,7aS)-4-acetyl-7-dodecyl-3-methyl-1-oxo-...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=CC2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33?,35+,36+,39-/m0/s1
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n/an/a 1.71E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM124257
PNG
(Paracaseolide A (13))
Show SMILES CCCCCCCCCCCC\C=C\[C@@]12[C@H]3[C@H]4C(=C[C@H]1CCCCCCCCCCCC)C(=O)O[C@@]4(C)O[C@@]3(C)OC2=O |r,c:17|
Show InChI InChI=1S/C38H62O5/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-38-30(27-25-23-21-19-16-14-12-10-8-6-2)29-31-32-33(38)37(4,42-35(38)40)43-36(32,3)41-34(31)39/h26,28-30,32-33H,5-25,27H2,1-4H3/b28-26+/t30-,32-,33+,36+,37-,38+/m1/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM124252
PNG
((1R,2S,3S,8R,9S,12S)-8-dodecyl-3,12-dimethyl-9-[(1...)
Show SMILES CCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@@H]1[C@H](C)OC(=O)C1=C[C@H]2CCCCCCCCCCCC |r,c:29|
Show InChI InChI=1S/C38H64O4/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-38-32(27-25-23-21-19-16-14-12-10-8-6-2)29-33-34(30(3)41-36(33)39)35(38)31(4)42-37(38)40/h26,28-32,34-35H,5-25,27H2,1-4H3/b28-26+/t30-,31-,32+,34+,35+,38-/m0/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM124255
PNG
((3S,3aR,4S,7R,7aS)-4-acetyl-7-dodecyl-3-methyl-1-o...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=C[C@H]2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33+,35+,36+,39-/m0/s1
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n/an/a 2.55E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM124255
PNG
((3S,3aR,4S,7R,7aS)-4-acetyl-7-dodecyl-3-methyl-1-o...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=C[C@H]2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33+,35+,36+,39-/m0/s1
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n/an/a 3.13E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM124252
PNG
((1R,2S,3S,8R,9S,12S)-8-dodecyl-3,12-dimethyl-9-[(1...)
Show SMILES CCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@@H]1[C@H](C)OC(=O)C1=C[C@H]2CCCCCCCCCCCC |r,c:29|
Show InChI InChI=1S/C38H64O4/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-38-32(27-25-23-21-19-16-14-12-10-8-6-2)29-33-34(30(3)41-36(33)39)35(38)31(4)42-37(38)40/h26,28-32,34-35H,5-25,27H2,1-4H3/b28-26+/t30-,31-,32+,34+,35+,38-/m0/s1
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n/an/a 3.25E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM124255
PNG
((3S,3aR,4S,7R,7aS)-4-acetyl-7-dodecyl-3-methyl-1-o...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=C[C@H]2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33+,35+,36+,39-/m0/s1
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n/an/a 3.86E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM124253
PNG
((1R,2S,3S,8R,9S,12S)-8-dodecyl-3,12-dimethyl-9-[(1...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@@H]1[C@H](C)OC(=O)C1=CC2CCCCCCCCCCCC |r,c:30|
Show InChI InChI=1S/C39H66O4/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34-35(31(3)42-37(34)40)36(39)32(4)43-38(39)41/h27,29-33,35-36H,5-26,28H2,1-4H3/b29-27+/t31-,32-,33?,35+,36+,39-/m0/s1
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n/an/a 3.93E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM124253
PNG
((1R,2S,3S,8R,9S,12S)-8-dodecyl-3,12-dimethyl-9-[(1...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@@H]1[C@H](C)OC(=O)C1=CC2CCCCCCCCCCCC |r,c:30|
Show InChI InChI=1S/C39H66O4/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34-35(31(3)42-37(34)40)36(39)32(4)43-38(39)41/h27,29-33,35-36H,5-26,28H2,1-4H3/b29-27+/t31-,32-,33?,35+,36+,39-/m0/s1
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n/an/a 4.27E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM124256
PNG
((3S,3aR,4S,7aS)-4-acetyl-7-dodecyl-3-methyl-1-oxo-...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=CC2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33?,35+,36+,39-/m0/s1
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n/an/a 4.41E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM124256
PNG
((3S,3aR,4S,7aS)-4-acetyl-7-dodecyl-3-methyl-1-oxo-...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@H](C(C)=O)C(=CC2CCCCCCCCCCCC)C(O)=O |r,c:27|
Show InChI InChI=1S/C39H66O5/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34(37(41)42)35(31(3)40)36(39)32(4)44-38(39)43/h27,29-30,32-33,35-36H,5-26,28H2,1-4H3,(H,41,42)/b29-27+/t32-,33?,35+,36+,39-/m0/s1
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n/an/a 4.73E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM124258
PNG
((1S,4S,5R,10R,11S,12R)-5-dodecyl-1,10-dimethyl-3,8...)
Show SMILES CCCCCCCCCCCC[C@@H]1C=C2[C@@H]3[C@H]4[C@](C)(OC(=O)[C@@]14C=O)O[C@]3(C)OC2=O |r,c:13|
Show InChI InChI=1S/C25H36O6/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-18-19-20-24(3,30-22(28)25(17,20)16-26)31-23(19,2)29-21(18)27/h15-17,19-20H,4-14H2,1-3H3/t17-,19-,20+,23+,24-,25+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM124257
PNG
(Paracaseolide A (13))
Show SMILES CCCCCCCCCCCC\C=C\[C@@]12[C@H]3[C@H]4C(=C[C@H]1CCCCCCCCCCCC)C(=O)O[C@@]4(C)O[C@@]3(C)OC2=O |r,c:17|
Show InChI InChI=1S/C38H62O5/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-38-30(27-25-23-21-19-16-14-12-10-8-6-2)29-31-32-33(38)37(4,42-35(38)40)43-36(32,3)41-34(31)39/h26,28-30,32-33H,5-25,27H2,1-4H3/b28-26+/t30-,32-,33+,36+,37-,38+/m1/s1
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n/an/a 6.01E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM124258
PNG
((1S,4S,5R,10R,11S,12R)-5-dodecyl-1,10-dimethyl-3,8...)
Show SMILES CCCCCCCCCCCC[C@@H]1C=C2[C@@H]3[C@H]4[C@](C)(OC(=O)[C@@]14C=O)O[C@]3(C)OC2=O |r,c:13|
Show InChI InChI=1S/C25H36O6/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-18-19-20-24(3,30-22(28)25(17,20)16-26)31-23(19,2)29-21(18)27/h15-17,19-20H,4-14H2,1-3H3/t17-,19-,20+,23+,24-,25+/m1/s1
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n/an/a 8.33E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM124258
PNG
((1S,4S,5R,10R,11S,12R)-5-dodecyl-1,10-dimethyl-3,8...)
Show SMILES CCCCCCCCCCCC[C@@H]1C=C2[C@@H]3[C@H]4[C@](C)(OC(=O)[C@@]14C=O)O[C@]3(C)OC2=O |r,c:13|
Show InChI InChI=1S/C25H36O6/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-18-19-20-24(3,30-22(28)25(17,20)16-26)31-23(19,2)29-21(18)27/h15-17,19-20H,4-14H2,1-3H3/t17-,19-,20+,23+,24-,25+/m1/s1
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n/an/a 9.38E+3n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM124252
PNG
((1R,2S,3S,8R,9S,12S)-8-dodecyl-3,12-dimethyl-9-[(1...)
Show SMILES CCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@@H]1[C@H](C)OC(=O)C1=C[C@H]2CCCCCCCCCCCC |r,c:29|
Show InChI InChI=1S/C38H64O4/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-38-32(27-25-23-21-19-16-14-12-10-8-6-2)29-33-34(30(3)41-36(33)39)35(38)31(4)42-37(38)40/h26,28-32,34-35H,5-25,27H2,1-4H3/b28-26+/t30-,31-,32+,34+,35+,38-/m0/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM124259
PNG
((1R,6R,7S,10S,11R,12S)-6-dodecyl-7-(hydroxymethyl)...)
Show SMILES CCCCCCCCCCCC[C@@H]1C=C2[C@@H]3[C@H]4[C@](C)(OC(=O)[C@@]14CO)O[C@]3(C)OC2=O |r,c:13|
Show InChI InChI=1S/C25H38O6/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-18-19-20-24(3,30-22(28)25(17,20)16-26)31-23(19,2)29-21(18)27/h15,17,19-20,26H,4-14,16H2,1-3H3/t17-,19-,20+,23+,24-,25+/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM124259
PNG
((1R,6R,7S,10S,11R,12S)-6-dodecyl-7-(hydroxymethyl)...)
Show SMILES CCCCCCCCCCCC[C@@H]1C=C2[C@@H]3[C@H]4[C@](C)(OC(=O)[C@@]14CO)O[C@]3(C)OC2=O |r,c:13|
Show InChI InChI=1S/C25H38O6/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-18-19-20-24(3,30-22(28)25(17,20)16-26)31-23(19,2)29-21(18)27/h15,17,19-20,26H,4-14,16H2,1-3H3/t17-,19-,20+,23+,24-,25+/m1/s1
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n/an/a 1.98E+4n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM124259
PNG
((1R,6R,7S,10S,11R,12S)-6-dodecyl-7-(hydroxymethyl)...)
Show SMILES CCCCCCCCCCCC[C@@H]1C=C2[C@@H]3[C@H]4[C@](C)(OC(=O)[C@@]14CO)O[C@]3(C)OC2=O |r,c:13|
Show InChI InChI=1S/C25H38O6/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-18-19-20-24(3,30-22(28)25(17,20)16-26)31-23(19,2)29-21(18)27/h15,17,19-20,26H,4-14,16H2,1-3H3/t17-,19-,20+,23+,24-,25+/m1/s1
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n/an/a 2.04E+4n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM124253
PNG
((1R,2S,3S,8R,9S,12S)-8-dodecyl-3,12-dimethyl-9-[(1...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@]12[C@H]([C@H](C)OC1=O)[C@@H]1[C@H](C)OC(=O)C1=CC2CCCCCCCCCCCC |r,c:30|
Show InChI InChI=1S/C39H66O4/c1-5-7-9-11-13-15-17-18-19-21-23-25-27-29-39-33(28-26-24-22-20-16-14-12-10-8-6-2)30-34-35(31(3)42-37(34)40)36(39)32(4)43-38(39)41/h27,29-33,35-36H,5-26,28H2,1-4H3/b29-27+/t31-,32-,33?,35+,36+,39-/m0/s1
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n/an/a 3.18E+4n/an/an/an/an/an/a



Lanzhou University





Org Biomol Chem 12: 3441-5 (2014)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2JQ0ZPC
More data for this
Ligand-Target Pair