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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'shimazu' and Initial = 'm'   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073876
PNG
((1S,4S,5aS,9aS)-7,7-Dibutyl-4-hydroxymethyl-5a-met...)
Show SMILES CCCCCCCC[C@H]1[C@@H]2CCC(CCCC)(CCCC)C[C@@]2(C)C[C@@H](CO)NC1=O
Show InChI InChI=1S/C28H53NO2/c1-5-8-11-12-13-14-15-24-25-16-19-28(17-9-6-2,18-10-7-3)22-27(25,4)20-23(21-30)29-26(24)31/h23-25,30H,5-22H2,1-4H3,(H,29,31)/t23-,24-,25-,27+/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073875
PNG
((1S,4S,5aS,9aS)-1,7,7-Tributyl-4-hydroxymethyl-5a-...)
Show SMILES CCCC[C@H]1[C@@H]2CCC(CCCC)(CCCC)C[C@@]2(C)C[C@@H](CO)NC1=O
Show InChI InChI=1S/C24H45NO2/c1-5-8-11-20-21-12-15-24(13-9-6-2,14-10-7-3)18-23(21,4)16-19(17-26)25-22(20)27/h19-21,26H,5-18H2,1-4H3,(H,25,27)/t19-,20-,21-,23+/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073873
PNG
((1S,4S,5aS,9aS)-7,7-Dibutyl-4-hydroxymethyl-1,5a-d...)
Show SMILES CCCCC1(CCCC)CC[C@H]2[C@H](C)C(=O)N[C@H](CO)C[C@]2(C)C1
Show InChI InChI=1S/C21H39NO2/c1-5-7-10-21(11-8-6-2)12-9-18-16(3)19(24)22-17(14-23)13-20(18,4)15-21/h16-18,23H,5-15H2,1-4H3,(H,22,24)/t16-,17-,18-,20+/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073874
PNG
((4S,5aS,9aS)-7,7-Dibutyl-4-hydroxymethyl-5a-methyl...)
Show SMILES CCCCC1(CCCC)CC[C@H]2CC(=O)N[C@H](CO)C[C@]2(C)C1
Show InChI InChI=1S/C20H37NO2/c1-4-6-9-20(10-7-5-2)11-8-16-12-18(23)21-17(14-22)13-19(16,3)15-20/h16-17,22H,4-15H2,1-3H3,(H,21,23)/t16-,17-,19+/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073874
PNG
((4S,5aS,9aS)-7,7-Dibutyl-4-hydroxymethyl-5a-methyl...)
Show SMILES CCCCC1(CCCC)CC[C@H]2CC(=O)N[C@H](CO)C[C@]2(C)C1
Show InChI InChI=1S/C20H37NO2/c1-4-6-9-20(10-7-5-2)11-8-16-12-18(23)21-17(14-22)13-19(16,3)15-20/h16-17,22H,4-15H2,1-3H3,(H,21,23)/t16-,17-,19+/m0/s1
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80n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073878
PNG
((4R,5aS,9aS)-7,7-Dibutyl-4-hydroxymethyl-5a-methyl...)
Show SMILES CCCCC1(CCCC)CC[C@H]2CC(=O)N[C@@H](CO)C[C@]2(C)C1
Show InChI InChI=1S/C20H37NO2/c1-4-6-9-20(10-7-5-2)11-8-16-12-18(23)21-17(14-22)13-19(16,3)15-20/h16-17,22H,4-15H2,1-3H3,(H,21,23)/t16-,17+,19+/m0/s1
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190n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073870
PNG
((4R,5aS,5bS,7aR,8R,10aS,10bR,12aS)-8-(1,5-Dimethyl...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)N[C@@H](CO)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C28H49NO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-15-26(31)29-21(17-30)16-28(20,5)25(22)13-14-27(23,24)4/h18-25,30H,6-17H2,1-5H3,(H,29,31)/t19?,20-,21+,22-,23+,24-,25-,27+,28-/m0/s1
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>500n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073871
PNG
((4R,5aS,5bS,7aS,10aS,10bS,12aS)-4-Hydroxymethyl-5a...)
Show SMILES C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)N[C@@H](CO)C[C@]3(C)[C@H]1CC2
Show InChI InChI=1S/C20H33NO2/c1-19-8-3-4-16(19)15-6-5-13-10-18(23)21-14(12-22)11-20(13,2)17(15)7-9-19/h13-17,22H,3-12H2,1-2H3,(H,21,23)/t13-,14+,15-,16-,17-,19-,20-/m0/s1
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>500n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073877
PNG
((4S,5aS,5bS,7aR,8R,10aS,10bR,12aS)-8-(1,5-Dimethyl...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)N[C@H](CO)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C28H49NO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-15-26(31)29-21(17-30)16-28(20,5)25(22)13-14-27(23,24)4/h18-25,30H,6-17H2,1-5H3,(H,29,31)/t19?,20-,21-,22-,23+,24-,25-,27+,28-/m0/s1
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>500n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073872
PNG
((4S,5aS,5bS,7aS,10aS,10bS,12aS)-4-Hydroxymethyl-5a...)
Show SMILES C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)N[C@H](CO)C[C@]3(C)[C@H]1CC2
Show InChI InChI=1S/C20H33NO2/c1-19-8-3-4-16(19)15-6-5-13-10-18(23)21-14(12-22)11-20(13,2)17(15)7-9-19/h13-17,22H,3-12H2,1-2H3,(H,21,23)/t13-,14-,15-,16-,17-,19-,20-/m0/s1
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>500n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from human recombinant Protein kinase C alpha


Bioorg Med Chem Lett 9: 173-8 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ02Z9
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50366437
PNG
(CHEMBL608874)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](OP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C29H36N15O19P3/c30-20-11-23(36-3-33-20)42(6-39-11)26-16(47)14(45)9(58-26)1-56-65(52,53)61-18-15(46)10(59-27(18)43-7-40-12-21(31)34-4-37-24(12)43)2-57-66(54,55)62-19-17(48)29(63-64(49,50)51)60-28(19)44-8-41-13-22(32)35-5-38-25(13)44/h3-10,14-19,26-29,45-48H,1-2H2,(H,52,53)(H,54,55)(H2,30,33,36)(H2,31,34,37)(H2,32,35,38)(H2,49,50,51)/t9-,10-,14-,15-,16-,17+,18-,19-,26?,27-,28-,29-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration which displaces 50% of [125I]-labeled 2-5A probe bound to RNase L from mouse L cell extract


Bioorg Med Chem Lett 6: 1785-1790 (1996)

Checked by Author
Article DOI: 10.1016/0960-894X(96)00314-9
BindingDB Entry DOI: 10.7270/Q2XS5VWT
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Homo sapiens (Human))
BDBM50366437
PNG
(CHEMBL608874)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](OP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C29H36N15O19P3/c30-20-11-23(36-3-33-20)42(6-39-11)26-16(47)14(45)9(58-26)1-56-65(52,53)61-18-15(46)10(59-27(18)43-7-40-12-21(31)34-4-37-24(12)43)2-57-66(54,55)62-19-17(48)29(63-64(49,50)51)60-28(19)44-8-41-13-22(32)35-5-38-25(13)44/h3-10,14-19,26-29,45-48H,1-2H2,(H,52,53)(H,54,55)(H2,30,33,36)(H2,31,34,37)(H2,32,35,38)(H2,49,50,51)/t9-,10-,14-,15-,16-,17+,18-,19-,26?,27-,28-,29-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration which displaces 50% of [125I]-labeled 2-5A probe bound to RNase L from rabbit reticulocyte lysate


Bioorg Med Chem Lett 6: 1785-1790 (1996)

Checked by Author
Article DOI: 10.1016/0960-894X(96)00314-9
BindingDB Entry DOI: 10.7270/Q2XS5VWT
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50366438
PNG
(CHEMBL608875)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](OP(O)(O)=O)O[C@@H]3n3cnc4c(N)ncnc34)O[C@@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C29H36N15O19P3/c30-20-11-23(36-3-33-20)42(6-39-11)26-16(47)14(45)9(58-26)1-56-65(52,53)61-18-15(46)10(59-27(18)43-7-40-12-21(31)34-4-37-24(12)43)2-57-66(54,55)62-19-17(48)29(63-64(49,50)51)60-28(19)44-8-41-13-22(32)35-5-38-25(13)44/h3-10,14-19,26-29,45-48H,1-2H2,(H,52,53)(H,54,55)(H2,30,33,36)(H2,31,34,37)(H2,32,35,38)(H2,49,50,51)/t9-,10-,14-,15-,16-,17+,18-,19-,26?,27+,28+,29-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration which displaces 50% of [125I]-labeled 2-5A probe bound to RNase L from mouse L cell extract


Bioorg Med Chem Lett 6: 1785-1790 (1996)

Checked by Author
Article DOI: 10.1016/0960-894X(96)00314-9
BindingDB Entry DOI: 10.7270/Q2XS5VWT
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Homo sapiens (Human))
BDBM50366436
PNG
(CHEMBL605454)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(=O)O[C@@H]3[C@@H](OP(O)(O)=O)O[C@@H]([C@@H]3O)n3cnc4c(N)ncnc34)O[C@@H]([C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C29H36N15O19P3/c30-20-11-23(36-3-33-20)42(6-39-11)26-15(46)14(45)9(58-26)1-56-65(52,53)61-18-10(59-27(16(18)47)43-7-40-12-21(31)34-4-37-24(12)43)2-57-66(54,55)62-19-17(48)28(60-29(19)63-64(49,50)51)44-8-41-13-22(32)35-5-38-25(13)44/h3-10,14-19,26-29,45-48H,1-2H2,(H,52,53)(H,54,55)(H2,30,33,36)(H2,31,34,37)(H2,32,35,38)(H2,49,50,51)/t9-,10-,14-,15-,16-,17-,18-,19+,26?,27+,28+,29-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration which displaces 50% of [125I]-labeled 2-5A probe bound to RNase L from rabbit reticulocyte lysate


Bioorg Med Chem Lett 6: 1785-1790 (1996)

Checked by Author
Article DOI: 10.1016/0960-894X(96)00314-9
BindingDB Entry DOI: 10.7270/Q2XS5VWT
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Mus musculus)
BDBM50366436
PNG
(CHEMBL605454)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](COP(O)(=O)O[C@@H]3[C@@H](OP(O)(O)=O)O[C@@H]([C@@H]3O)n3cnc4c(N)ncnc34)O[C@@H]([C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C29H36N15O19P3/c30-20-11-23(36-3-33-20)42(6-39-11)26-15(46)14(45)9(58-26)1-56-65(52,53)61-18-10(59-27(16(18)47)43-7-40-12-21(31)34-4-37-24(12)43)2-57-66(54,55)62-19-17(48)28(60-29(19)63-64(49,50)51)44-8-41-13-22(32)35-5-38-25(13)44/h3-10,14-19,26-29,45-48H,1-2H2,(H,52,53)(H,54,55)(H2,30,33,36)(H2,31,34,37)(H2,32,35,38)(H2,49,50,51)/t9-,10-,14-,15-,16-,17-,18-,19+,26?,27+,28+,29-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration which displaces 50% of [125I]-labeled 2-5A probe bound to RNase L from mouse L cell extract


Bioorg Med Chem Lett 6: 1785-1790 (1996)

Checked by Author
Article DOI: 10.1016/0960-894X(96)00314-9
BindingDB Entry DOI: 10.7270/Q2XS5VWT
More data for this
Ligand-Target Pair
2-5A-dependent ribonuclease


(Homo sapiens (Human))
BDBM50366438
PNG
(CHEMBL608875)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](OP(O)(O)=O)O[C@@H]3n3cnc4c(N)ncnc34)O[C@@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C29H36N15O19P3/c30-20-11-23(36-3-33-20)42(6-39-11)26-16(47)14(45)9(58-26)1-56-65(52,53)61-18-15(46)10(59-27(18)43-7-40-12-21(31)34-4-37-24(12)43)2-57-66(54,55)62-19-17(48)29(63-64(49,50)51)60-28(19)44-8-41-13-22(32)35-5-38-25(13)44/h3-10,14-19,26-29,45-48H,1-2H2,(H,52,53)(H,54,55)(H2,30,33,36)(H2,31,34,37)(H2,32,35,38)(H2,49,50,51)/t9-,10-,14-,15-,16-,17+,18-,19-,26?,27+,28+,29-/m1/s1
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Article
n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration which displaces 50% of [125I]-labeled 2-5A probe bound to RNase L from rabbit reticulocyte lysate


Bioorg Med Chem Lett 6: 1785-1790 (1996)

Checked by Author
Article DOI: 10.1016/0960-894X(96)00314-9
BindingDB Entry DOI: 10.7270/Q2XS5VWT
More data for this
Ligand-Target Pair