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Compile Data Set for Download or QSAR

Found 939 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type'   
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 theta type


(Homo sapiens (human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/an/an/a 3.16E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysis


Bioorg Med Chem 19: 6196-202 (2011)


Article DOI: 10.1016/j.bmc.2011.09.011
BindingDB Entry DOI: 10.7270/Q2BK1CST
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50099066
PNG
(CHEMBL279115 | phorbol 13-acetate 12-myristate)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Show InChI InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1
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n/an/an/an/a 3.19E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50307103
PNG
((1E,4Z,6E)-7-(4-(Hexadecyloxy)-3-methoxyphenyl)-5-...)
Show SMILES CCCCCCCCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)cc1OC
Show InChI InChI=1S/C29H36O6/c1-4-5-6-7-8-9-18-35-27-17-13-23(20-29(27)34-3)11-15-25(31)21-24(30)14-10-22-12-16-26(32)28(19-22)33-2/h10-17,19-20,32H,4-9,18,21H2,1-3H3
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n/an/an/an/a 4.00E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50015677
PNG
((S)-1-hydroxymethyl-2-octanoyloxy-ethyl ester | 1,...)
Show SMILES CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1
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n/an/an/an/a 5.24E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50307104
PNG
((1E,4Z,6E)-5-Hydroxy-1,7-bis(3-methoxy-4-(octyloxy...)
Show SMILES CCCCCCCCCCCCCCCCOc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)cc1OC
Show InChI InChI=1S/C37H52O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-43-35-25-21-31(28-37(35)42-3)19-23-33(39)29-32(38)22-18-30-20-24-34(40)36(27-30)41-2/h18-25,27-28,40H,4-17,26,29H2,1-3H3
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n/an/an/an/a 5.95E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50067030
PNG
((1E,4Z,6E)-1,7-Bis-(3,4-dihydroxy-phenyl)-5-hydrox...)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C19H16O6/c20-14(5-1-12-3-7-16(22)18(24)9-12)11-15(21)6-2-13-4-8-17(23)19(25)10-13/h1-10,22-25H,11H2
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n/an/an/an/a 6.57E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50357493
PNG
(CHEMBL1914610)
Show SMILES CCCCOc1ccc(\C=C\c2cc(\C=C\c3ccc(OCCCC)c(OC)c3)on2)cc1OC
Show InChI InChI=1S/C29H35NO5/c1-5-7-17-33-26-15-11-22(19-28(26)31-3)9-13-24-21-25(35-30-24)14-10-23-12-16-27(29(20-23)32-4)34-18-8-6-2/h9-16,19-21H,5-8,17-18H2,1-4H3/b13-9+,14-10+
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n/an/an/an/a 7.14E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysis


Bioorg Med Chem 19: 6196-202 (2011)


Article DOI: 10.1016/j.bmc.2011.09.011
BindingDB Entry DOI: 10.7270/Q2BK1CST
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50163748
PNG
((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O
Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+
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n/an/an/an/a 7.25E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysis


Bioorg Med Chem 19: 6196-202 (2011)


Article DOI: 10.1016/j.bmc.2011.09.011
BindingDB Entry DOI: 10.7270/Q2BK1CST
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50307105
PNG
(1,2-dioleoyl-sn-glycerol | CHEMBL590047)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC
Show InChI InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-/t37-/m0/s1
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n/an/an/an/a 8.67E+3n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/an/an/a 1.11E+4n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PKCtheta expressed in Escherichia coli BL21(DE3) by fluorescence quenching


Bioorg Med Chem 18: 1591-8 (2010)


Article DOI: 10.1016/j.bmc.2009.12.075
BindingDB Entry DOI: 10.7270/Q2KP834V
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50357492
PNG
(CHEMBL1914609)
Show SMILES CCCCOc1ccc(C=Cc2cc(C=Cc3ccc(O)c(OC)c3)n[nH]2)cc1OC
Show InChI InChI=1S/C25H28N2O4/c1-4-5-14-31-23-13-9-19(16-25(23)30-3)7-11-21-17-20(26-27-21)10-6-18-8-12-22(28)24(15-18)29-2/h6-13,15-17,28H,4-5,14H2,1-3H3,(H,26,27)
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n/an/an/an/a 1.58E+4n/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Binding affinity to PKCtheta C1B subdomain after 1 hr by fluorescence quenching analysis


Bioorg Med Chem 19: 6196-202 (2011)


Article DOI: 10.1016/j.bmc.2011.09.011
BindingDB Entry DOI: 10.7270/Q2BK1CST
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427363
PNG
(CHEMBL2326002)
Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl
Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427367
PNG
(CHEMBL2325998)
Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1O
Show InChI InChI=1S/C20H25FN6O2/c1-11(2)20(3,29)15-10-27(8-7-22-15)19-14(28)9-13(21)17(24-19)16-12-5-4-6-23-18(12)26-25-16/h4-6,9,11,15,22,28-29H,7-8,10H2,1-3H3,(H,23,25,26)/t15-,20+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427365
PNG
(CHEMBL2326000)
Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1CO
Show InChI InChI=1S/C21H27FN6O2/c1-12(2)21(3,30)16-10-28(8-7-23-16)20-13(11-29)9-15(22)18(25-20)17-14-5-4-6-24-19(14)27-26-17/h4-6,9,12,16,23,29-30H,7-8,10-11H2,1-3H3,(H,24,26,27)/t16-,21+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427364
PNG
(CHEMBL2326001)
Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1F
Show InChI InChI=1S/C20H24F2N6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-14(22)9-13(21)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50391386
PNG
(CHEMBL2148106)
Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cccc(O)c1
Show InChI InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26?,29+,31-,32-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCtheta C1B domain


J Med Chem 55: 5614-26 (2012)


Article DOI: 10.1021/jm300566h
BindingDB Entry DOI: 10.7270/Q200036J
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50327943
PNG
(Aplysiatoxin | CHEMBL1256416)
Show SMILES CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@@H](OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)c1cc(O)ccc1Br
Show InChI InChI=1S/C32H47BrO10/c1-17(8-11-24(39-7)22-12-21(35)9-10-23(22)33)29-19(3)26-15-32(42-29)30(5,6)14-18(2)31(38,43-32)16-28(37)40-25(20(4)34)13-27(36)41-26/h9-10,12,17-20,24-26,29,34-35,38H,8,11,13-16H2,1-7H3/t17-,18+,19-,20+,24-,25+,26?,29+,31-,32-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCtheta C1B peptide


Bioorg Med Chem Lett 20: 6064-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.051
BindingDB Entry DOI: 10.7270/Q2FJ2H04
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427370
PNG
(CHEMBL2326007)
Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C20H25FN6O/c1-12(2)20(3,28)15-11-27(10-9-22-15)16-7-6-14(21)18(24-16)17-13-5-4-8-23-19(13)26-25-17/h4-8,12,15,22,28H,9-11H2,1-3H3,(H,23,25,26)/t15-,20+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50391388
PNG
(CHEMBL2148108)
Show SMILES C[C@@H]1[C@@H](CCCCc2cccc(O)c2)O[C@]23C[C@@H]1OC(=O)C[C@H](CO)OC(=O)C[C@@H](CCC2(C)C)O3
Show InChI InChI=1S/C28H40O8/c1-18-23(10-5-4-7-19-8-6-9-20(30)13-19)36-28-16-24(18)34-26(32)15-22(17-29)33-25(31)14-21(35-28)11-12-27(28,2)3/h6,8-9,13,18,21-24,29-30H,4-5,7,10-12,14-17H2,1-3H3/t18-,21-,22-,23-,24?,28-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCtheta C1B domain


J Med Chem 55: 5614-26 (2012)


Article DOI: 10.1021/jm300566h
BindingDB Entry DOI: 10.7270/Q200036J
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50387328
PNG
(CHEMBL2046649)
Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(-c2ccccc2)c(n1)C(=O)c1cccnc1N
Show InChI InChI=1S/C25H29N5O/c1-17(2)15-19-16-30(14-13-27-19)22-11-10-20(18-7-4-3-5-8-18)23(29-22)24(31)21-9-6-12-28-25(21)26/h3-12,17,19,27H,13-16H2,1-2H3,(H2,26,28)/t19-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 22: 4645-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.114
BindingDB Entry DOI: 10.7270/Q2TM7C65
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50097750
PNG
(Butyric acid (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9-but...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O7/c1-7-9-21(30)34-25-16(4)27(33)19-11-15(3)23(32)18(19)12-17(14-29)13-20(27)24-26(5,6)28(24,25)35-22(31)10-8-2/h11,13,16,18-20,24-25,29,33H,7-10,12,14H2,1-6H3/t16-,18+,19-,20+,24?,25-,27+,28-/m1/s1
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0.730n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C theta C1b domain


Bioorg Med Chem Lett 11: 719-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00045-2
BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427366
PNG
(CHEMBL2325999)
Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1C#N
Show InChI InChI=1S/C21H24FN7O/c1-12(2)21(3,30)16-11-29(8-7-24-16)20-13(10-23)9-15(22)18(26-20)17-14-5-4-6-25-19(14)28-27-17/h4-6,9,12,16,24,30H,7-8,11H2,1-3H3,(H,25,27,28)/t16-,21+/m0/s1
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1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427374
PNG
(CHEMBL2326009)
Show SMILES CC(C)[C@](C)(O)[C@@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C20H25FN6O/c1-12(2)20(3,28)15-11-27(10-9-22-15)16-7-6-14(21)18(24-16)17-13-5-4-8-23-19(13)26-25-17/h4-8,12,15,22,28H,9-11H2,1-3H3,(H,23,25,26)/t15-,20-/m0/s1
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1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50229772
PNG
(1-hexylindolactam-V | CHEMBL399981)
Show SMILES CCCCCCn1cc2C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c3cccc1c23
Show InChI InChI=1S/C23H35N3O2/c1-5-6-7-8-12-26-14-17-13-18(15-27)24-23(28)22(16(2)3)25(4)19-10-9-11-20(26)21(17)19/h9-11,14,16,18,22,27H,5-8,12-13,15H2,1-4H3,(H,24,28)/t18-,22-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCtheta C1B domain


J Med Chem 51: 46-56 (2008)


Article DOI: 10.1021/jm0706719
BindingDB Entry DOI: 10.7270/Q2445M7Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50057512
PNG
((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-...)
Show SMILES CCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCC
Show InChI InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22?,24-,26-,27-,28-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of 3[H]PDBu from Protein kinase C theta C1b domain


Bioorg Med Chem Lett 11: 719-22 (2001)


Article DOI: 10.1016/s0960-894x(01)00045-2
BindingDB Entry DOI: 10.7270/Q2VM4BHZ
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50387349
PNG
(CHEMBL2046644)
Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(Cl)c(n1)C(=O)c1cccnc1N
Show InChI InChI=1S/C19H24ClN5O/c1-12(2)10-13-11-25(9-8-22-13)16-6-5-15(20)17(24-16)18(26)14-4-3-7-23-19(14)21/h3-7,12-13,22H,8-11H2,1-2H3,(H2,21,23)/t13-/m0/s1
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2n/an/an/an/an/an/an/an/a



Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 22: 4645-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.114
BindingDB Entry DOI: 10.7270/Q2TM7C65
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427382
PNG
(CHEMBL2326019)
Show SMILES CC(C)C[C@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C19H24N6/c1-13(2)11-14-12-25(10-9-20-14)17-7-3-6-16(22-17)18-15-5-4-8-21-19(15)24-23-18/h3-8,13-14,20H,9-12H2,1-2H3,(H,21,23,24)/t14-/m0/s1
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2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50391387
PNG
(CHEMBL2148107)
Show SMILES C[C@@H]1CC(C)(C)[C@@]23C[C@@H](C[C@@H](CCCCc4cccc(O)c4)O2)OC(=O)C[C@H](CO)OC(=O)C[C@@H]1O3
Show InChI InChI=1S/C28H40O8/c1-18-15-27(2,3)28-16-22(33-25(31)13-23(17-29)34-26(32)14-24(18)36-28)12-21(35-28)10-5-4-7-19-8-6-9-20(30)11-19/h6,8-9,11,18,21-24,29-30H,4-5,7,10,12-17H2,1-3H3/t18-,21-,22?,23-,24+,28+/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCtheta C1B domain


J Med Chem 55: 5614-26 (2012)


Article DOI: 10.1021/jm300566h
BindingDB Entry DOI: 10.7270/Q200036J
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50387330
PNG
(CHEMBL2046643)
Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F
Show InChI InChI=1S/C20H24F3N5O/c1-12(2)10-13-11-28(9-8-25-13)16-6-5-15(20(21,22)23)17(27-16)18(29)14-4-3-7-26-19(14)24/h3-7,12-13,25H,8-11H2,1-2H3,(H2,24,26)/t13-/m0/s1
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3n/an/an/an/an/an/an/an/a



Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 22: 4645-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.114
BindingDB Entry DOI: 10.7270/Q2TM7C65
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50387346
PNG
(CHEMBL2046640)
Show SMILES CC(C)C[C@H]1CN(CCN1)c1cccc(n1)C(=O)c1cccnc1N
Show InChI InChI=1S/C19H25N5O/c1-13(2)11-14-12-24(10-9-21-14)17-7-3-6-16(23-17)18(25)15-5-4-8-22-19(15)20/h3-8,13-14,21H,9-12H2,1-2H3,(H2,20,22)/t14-/m0/s1
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3n/an/an/an/an/an/an/an/a



Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 22: 4645-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.114
BindingDB Entry DOI: 10.7270/Q2TM7C65
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50327946
PNG
(1S,3R,5R,9R,13R)-9-Hydroxymethyl-3-[4-(3-hydroxy-p...)
Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cccc(O)c4)O[C@@]1(C3)O2
Show InChI InChI=1S/C27H38O8/c1-26(2)11-10-21-14-24(30)33-23(17-28)15-25(31)32-22-13-20(34-27(26,16-22)35-21)9-4-3-6-18-7-5-8-19(29)12-18/h5,7-8,12,20-23,28-29H,3-4,6,9-11,13-17H2,1-2H3/t20-,21-,22?,23-,27+/m1/s1
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4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCtheta C1B domain


J Med Chem 55: 5614-26 (2012)


Article DOI: 10.1021/jm300566h
BindingDB Entry DOI: 10.7270/Q200036J
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427379
PNG
(CHEMBL2326003)
Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C19H23FN6/c1-12(2)10-13-11-26(9-8-21-13)16-6-5-15(20)18(23-16)17-14-4-3-7-22-19(14)25-24-17/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24,25)/t13-/m0/s1
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4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50387343
PNG
(CHEMBL2046637)
Show SMILES CC(C)[C@H]1CN(CCN1)c1cccc(n1)C(=O)c1cccnc1N
Show InChI InChI=1S/C18H23N5O/c1-12(2)15-11-23(10-9-20-15)16-7-3-6-14(22-16)17(24)13-5-4-8-21-18(13)19/h3-8,12,15,20H,9-11H2,1-2H3,(H2,19,21)/t15-/m1/s1
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4n/an/an/an/an/an/an/an/a



Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 22: 4645-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.114
BindingDB Entry DOI: 10.7270/Q2TM7C65
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50327946
PNG
(1S,3R,5R,9R,13R)-9-Hydroxymethyl-3-[4-(3-hydroxy-p...)
Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4cccc(O)c4)O[C@@]1(C3)O2
Show InChI InChI=1S/C27H38O8/c1-26(2)11-10-21-14-24(30)33-23(17-28)15-25(31)32-22-13-20(34-27(26,16-22)35-21)9-4-3-6-18-7-5-8-19(29)12-18/h5,7-8,12,20-23,28-29H,3-4,6,9-11,13-17H2,1-2H3/t20-,21-,22?,23-,27+/m1/s1
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4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCtheta C1B peptide


Bioorg Med Chem Lett 20: 6064-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.051
BindingDB Entry DOI: 10.7270/Q2FJ2H04
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427381
PNG
(CHEMBL2326020)
Show SMILES C1CN(C[C@H](N1)c1ccccc1)c1cccc(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C21H20N6/c1-2-6-15(7-3-1)18-14-27(13-12-22-18)19-10-4-9-17(24-19)20-16-8-5-11-23-21(16)26-25-20/h1-11,18,22H,12-14H2,(H,23,25,26)/t18-/m0/s1
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5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427378
PNG
(CHEMBL2326004)
Show SMILES CC(C)C[C@H]1CN(C[C@@H](C)N1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C20H25FN6/c1-12(2)9-14-11-27(10-13(3)23-14)17-7-6-16(21)19(24-17)18-15-5-4-8-22-20(15)26-25-18/h4-8,12-14,23H,9-11H2,1-3H3,(H,22,25,26)/t13-,14+/m1/s1
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5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427383
PNG
(CHEMBL2326018)
Show SMILES CC(C)C[C@@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C19H24N6/c1-13(2)11-14-12-25(10-9-20-14)17-7-3-6-16(22-17)18-15-5-4-8-21-19(15)24-23-18/h3-8,13-14,20H,9-12H2,1-2H3,(H,21,23,24)/t14-/m1/s1
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5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50387348
PNG
(CHEMBL2046642)
Show SMILES Nc1ncccc1C(=O)c1cccc(n1)N1CCN[C@H](C1)c1ccccc1
Show InChI InChI=1S/C21H21N5O/c22-21-16(8-5-11-24-21)20(27)17-9-4-10-19(25-17)26-13-12-23-18(14-26)15-6-2-1-3-7-15/h1-11,18,23H,12-14H2,(H2,22,24)/t18-/m1/s1
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6n/an/an/an/an/an/an/an/a



Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 22: 4645-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.114
BindingDB Entry DOI: 10.7270/Q2TM7C65
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50078562
PNG
(11,21-dihydroxy-17-[1-hydroxy-(1R)-ethyl]-10,10-di...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3CCC[C@H](C[C@@H]4CCO[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)O3)[C@@H](C)O)=C\C(=O)OC
Show InChI InChI=1S/C39H62O13/c1-6-7-8-9-10-14-33(42)51-37-26(20-34(43)46-5)19-31-24-32(25(2)40)50-35(44)22-27(41)21-28-12-11-13-29(48-28)23-30-16-18-47-36(49-30)15-17-38(3,4)39(37,45)52-31/h15,17,20,25,27-32,36-37,40-41,45H,6-14,16,18-19,21-24H2,1-5H3/b17-15+,26-20+/t25-,27-,28+,29-,30+,31?,32-,36+,37+,39-/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C theta-C1B domain


Bioorg Med Chem Lett 9: 1687-90 (1999)


Article DOI: 10.1016/s0960-894x(99)00263-2
BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50387350
PNG
(CHEMBL2046646)
Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(OC(F)F)c(n1)C(=O)c1cccnc1N
Show InChI InChI=1S/C20H25F2N5O2/c1-12(2)10-13-11-27(9-8-24-13)16-6-5-15(29-20(21)22)17(26-16)18(28)14-4-3-7-25-19(14)23/h3-7,12-13,20,24H,8-11H2,1-2H3,(H2,23,25)/t13-/m0/s1
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7n/an/an/an/an/an/an/an/a



Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 22: 4645-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.114
BindingDB Entry DOI: 10.7270/Q2TM7C65
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50327944
PNG
((1S,3R,5R,9R,13R)-9-Hydroxymethyl-16,16-dimethyl-3...)
Show SMILES CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccccc4)O[C@@]1(C3)O2
Show InChI InChI=1S/C27H38O7/c1-26(2)13-12-21-15-24(29)32-23(18-28)16-25(30)31-22-14-20(33-27(26,17-22)34-21)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,20-23,28H,6-7,10-18H2,1-2H3/t20-,21-,22?,23-,27+/m1/s1
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8.10n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCtheta C1B peptide


Bioorg Med Chem Lett 20: 6064-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.051
BindingDB Entry DOI: 10.7270/Q2FJ2H04
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C theta C1b domain


Bioorg Med Chem Lett 11: 723-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00047-6
BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C theta C1b domain


Bioorg Med Chem Lett 10: 2087-90 (2000)


Article DOI: 10.1016/s0960-894x(00)00411-x
BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCtheta C1B domain


J Med Chem 51: 46-56 (2008)


Article DOI: 10.1021/jm0706719
BindingDB Entry DOI: 10.7270/Q2445M7Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCtheta C1B domain


Bioorg Med Chem 16: 650-7 (2008)


Article DOI: 10.1016/j.bmc.2007.10.045
BindingDB Entry DOI: 10.7270/Q2XS5W85
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427380
PNG
(CHEMBL2326021)
Show SMILES CC(C)C[C@@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C19H23FN6/c1-12(2)10-13-11-26(9-8-21-13)16-6-5-15(20)18(23-16)17-14-4-3-7-22-19(14)25-24-17/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24,25)/t13-/m1/s1
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9n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427372
PNG
(CHEMBL2326011)
Show SMILES COC(C)(C(C)C)C1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C21H27FN6O/c1-13(2)21(3,29-4)16-12-28(11-10-23-16)17-8-7-15(22)19(25-17)18-14-6-5-9-24-20(14)27-26-18/h5-9,13,16,23H,10-12H2,1-4H3,(H,24,26,27)
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10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50229773
PNG
(1-hexyl-indolactam-V10 | CHEMBL401369)
Show SMILES CCCCCCn1cc2CC[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c3cccc1c23
Show InChI InChI=1S/C24H37N3O2/c1-5-6-7-8-14-27-15-18-12-13-19(16-28)25-24(29)23(17(2)3)26(4)20-10-9-11-21(27)22(18)20/h9-11,15,17,19,23,28H,5-8,12-14,16H2,1-4H3,(H,25,29)/t19-,23-/m0/s1
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12n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCtheta C1B domain


J Med Chem 51: 46-56 (2008)


Article DOI: 10.1021/jm0706719
BindingDB Entry DOI: 10.7270/Q2445M7Q
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50427385
PNG
(CHEMBL2326016)
Show SMILES CC[C@@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C17H20N6/c1-2-12-11-23(10-9-18-12)15-7-3-6-14(20-15)16-13-5-4-8-19-17(13)22-21-16/h3-8,12,18H,2,9-11H2,1H3,(H,19,21,22)/t12-/m1/s1
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12n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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13n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C theta C1b domain


Bioorg Med Chem Lett 11: 723-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00047-6
BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
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