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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50013671   
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 delta


(Mus musculus)
BDBM50133235
PNG
(CHEMBL132720 | Docosanedioic acid ((S)-5-hydroxyme...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C52H84N6O6/c1-37(2)49-51(63)56-44(36-60)33-40-32-41(29-30-45(40)57(49)5)53-47(61)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-48(62)54-42-28-27-39-31-43(35-59)55-52(64)50(38(3)4)58(6)46(39)34-42/h27-30,32,34,37-38,43-44,49-50,59-60H,7-26,31,33,35-36H2,1-6H3,(H,53,61)(H,54,62)(H,55,64)(H,56,63)/t43-,44-,49-,50-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133238
PNG
(CHEMBL334853 | Hexadecanedioic acid ((S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C46H72N6O6/c1-31(2)43-45(57)50-38(30-54)27-34-26-35(23-24-39(34)51(43)5)47-41(55)19-17-15-13-11-9-7-8-10-12-14-16-18-20-42(56)48-36-22-21-33-25-37(29-53)49-46(58)44(32(3)4)52(6)40(33)28-36/h21-24,26,28,31-32,37-38,43-44,53-54H,7-20,25,27,29-30H2,1-6H3,(H,47,55)(H,48,56)(H,49,58)(H,50,57)/t37-,38-,43-,44-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133238
PNG
(CHEMBL334853 | Hexadecanedioic acid ((S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C46H72N6O6/c1-31(2)43-45(57)50-38(30-54)27-34-26-35(23-24-39(34)51(43)5)47-41(55)19-17-15-13-11-9-7-8-10-12-14-16-18-20-42(56)48-36-22-21-33-25-37(29-53)49-46(58)44(32(3)4)52(6)40(33)28-36/h21-24,26,28,31-32,37-38,43-44,53-54H,7-20,25,27,29-30H2,1-6H3,(H,47,55)(H,48,56)(H,49,58)(H,50,57)/t37-,38-,43-,44-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133235
PNG
(CHEMBL132720 | Docosanedioic acid ((S)-5-hydroxyme...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C52H84N6O6/c1-37(2)49-51(63)56-44(36-60)33-40-32-41(29-30-45(40)57(49)5)53-47(61)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-48(62)54-42-28-27-39-31-43(35-59)55-52(64)50(38(3)4)58(6)46(39)34-42/h27-30,32,34,37-38,43-44,49-50,59-60H,7-26,31,33,35-36H2,1-6H3,(H,53,61)(H,54,62)(H,55,64)(H,56,63)/t43-,44-,49-,50-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133249
PNG
(CHEMBL133853 | Dodecanedioic acid [(S)-5-hydroxyme...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C42H64N6O6/c1-27(2)39-41(53)46-34(26-50)23-30-22-31(19-20-35(30)47(39)5)43-37(51)15-13-11-9-7-8-10-12-14-16-38(52)44-32-18-17-29-21-33(25-49)45-42(54)40(28(3)4)48(6)36(29)24-32/h17-20,22,24,27-28,33-34,39-40,49-50H,7-16,21,23,25-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,54)(H,46,53)/t33-,34-,39-,40-/m0/s1
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0.480n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C epsilon


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C alpha with [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133249
PNG
(CHEMBL133853 | Dodecanedioic acid [(S)-5-hydroxyme...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C42H64N6O6/c1-27(2)39-41(53)46-34(26-50)23-30-22-31(19-20-35(30)47(39)5)43-37(51)15-13-11-9-7-8-10-12-14-16-38(52)44-32-18-17-29-21-33(25-49)45-42(54)40(28(3)4)48(6)36(29)24-32/h17-20,22,24,27-28,33-34,39-40,49-50H,7-16,21,23,25-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,54)(H,46,53)/t33-,34-,39-,40-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133243
PNG
(CHEMBL132612 | Decanedioic acid ((S)-5-hydroxymeth...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C40H60N6O6/c1-25(2)37-39(51)44-32(24-48)21-28-20-29(17-18-33(28)45(37)5)41-35(49)13-11-9-7-8-10-12-14-36(50)42-30-16-15-27-19-31(23-47)43-40(52)38(26(3)4)46(6)34(27)22-30/h15-18,20,22,25-26,31-32,37-38,47-48H,7-14,19,21,23-24H2,1-6H3,(H,41,49)(H,42,50)(H,43,52)(H,44,51)/t31-,32-,37-,38-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human PKC beta-1


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C gamma with [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133238
PNG
(CHEMBL334853 | Hexadecanedioic acid ((S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C46H72N6O6/c1-31(2)43-45(57)50-38(30-54)27-34-26-35(23-24-39(34)51(43)5)47-41(55)19-17-15-13-11-9-7-8-10-12-14-16-18-20-42(56)48-36-22-21-33-25-37(29-53)49-46(58)44(32(3)4)52(6)40(33)28-36/h21-24,26,28,31-32,37-38,43-44,53-54H,7-20,25,27,29-30H2,1-6H3,(H,47,55)(H,48,56)(H,49,58)(H,50,57)/t37-,38-,43-,44-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C delta


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133235
PNG
(CHEMBL132720 | Docosanedioic acid ((S)-5-hydroxyme...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C52H84N6O6/c1-37(2)49-51(63)56-44(36-60)33-40-32-41(29-30-45(40)57(49)5)53-47(61)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-48(62)54-42-28-27-39-31-43(35-59)55-52(64)50(38(3)4)58(6)46(39)34-42/h27-30,32,34,37-38,43-44,49-50,59-60H,7-26,31,33,35-36H2,1-6H3,(H,53,61)(H,54,62)(H,55,64)(H,56,63)/t43-,44-,49-,50-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133240
PNG
(CHEMBL135611 | Decanedioic acid ((2S,5S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(O)c4ccccc34)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C35H46N4O5/c1-23(2)34-35(44)37-26(22-40)21-24-20-25(16-18-30(24)39(34)3)36-32(42)14-8-6-4-5-7-9-15-33(43)38-29-17-19-31(41)28-13-11-10-12-27(28)29/h10-13,16-20,23,26,34,40-41H,4-9,14-15,21-22H2,1-3H3,(H,36,42)(H,37,44)(H,38,43)/t26-,34-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133249
PNG
(CHEMBL133853 | Dodecanedioic acid [(S)-5-hydroxyme...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C42H64N6O6/c1-27(2)39-41(53)46-34(26-50)23-30-22-31(19-20-35(30)47(39)5)43-37(51)15-13-11-9-7-8-10-12-14-16-38(52)44-32-18-17-29-21-33(25-49)45-42(54)40(28(3)4)48(6)36(29)24-32/h17-20,22,24,27-28,33-34,39-40,49-50H,7-16,21,23,25-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,54)(H,46,53)/t33-,34-,39-,40-/m0/s1
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5.60n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133243
PNG
(CHEMBL132612 | Decanedioic acid ((S)-5-hydroxymeth...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C40H60N6O6/c1-25(2)37-39(51)44-32(24-48)21-28-20-29(17-18-33(28)45(37)5)41-35(49)13-11-9-7-8-10-12-14-36(50)42-30-16-15-27-19-31(23-47)43-40(52)38(26(3)4)46(6)34(27)22-30/h15-18,20,22,25-26,31-32,37-38,47-48H,7-14,19,21,23-24H2,1-6H3,(H,41,49)(H,42,50)(H,43,52)(H,44,51)/t31-,32-,37-,38-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133246
PNG
(CHEMBL335486 | Hexanedioic acid [(S)-5-hydroxymeth...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C36H52N6O6/c1-21(2)33-35(47)40-28(20-44)17-24-16-25(13-14-29(24)41(33)5)37-31(45)9-7-8-10-32(46)38-26-12-11-23-15-27(19-43)39-36(48)34(22(3)4)42(6)30(23)18-26/h11-14,16,18,21-22,27-28,33-34,43-44H,7-10,15,17,19-20H2,1-6H3,(H,37,45)(H,38,46)(H,39,48)(H,40,47)/t27-,28-,33-,34-/m0/s1
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17n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133240
PNG
(CHEMBL135611 | Decanedioic acid ((2S,5S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(O)c4ccccc34)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C35H46N4O5/c1-23(2)34-35(44)37-26(22-40)21-24-20-25(16-18-30(24)39(34)3)36-32(42)14-8-6-4-5-7-9-15-33(43)38-29-17-19-31(41)28-13-11-10-12-27(28)29/h10-13,16-20,23,26,34,40-41H,4-9,14-15,21-22H2,1-3H3,(H,36,42)(H,37,44)(H,38,43)/t26-,34-/m0/s1
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22n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133245
PNG
(CHEMBL134690 | Octanedioic acid ((1S,6S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C38H56N6O6/c1-23(2)35-37(49)42-30(22-46)19-26-18-27(15-16-31(26)43(35)5)39-33(47)11-9-7-8-10-12-34(48)40-28-14-13-25-17-29(21-45)41-38(50)36(24(3)4)44(6)32(25)20-28/h13-16,18,20,23-24,29-30,35-36,45-46H,7-12,17,19,21-22H2,1-6H3,(H,39,47)(H,40,48)(H,41,50)(H,42,49)/t29-,30-,35-,36-/m0/s1
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31n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133243
PNG
(CHEMBL132612 | Decanedioic acid ((S)-5-hydroxymeth...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C40H60N6O6/c1-25(2)37-39(51)44-32(24-48)21-28-20-29(17-18-33(28)45(37)5)41-35(49)13-11-9-7-8-10-12-14-36(50)42-30-16-15-27-19-31(23-47)43-40(52)38(26(3)4)46(6)34(27)22-30/h15-18,20,22,25-26,31-32,37-38,47-48H,7-14,19,21,23-24H2,1-6H3,(H,41,49)(H,42,50)(H,43,52)(H,44,51)/t31-,32-,37-,38-/m0/s1
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38n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133248
PNG
(CHEMBL134413 | Dodecanedioic acid 4-(2-hydroxymeth...)
Show SMILES CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C48H60N2O8/c1-29(2)43-45(37(27-51)49-47(43)55)35-23-25-39(33-19-15-13-17-31(33)35)57-41(53)21-11-9-7-5-6-8-10-12-22-42(54)58-40-26-24-36(32-18-14-16-20-34(32)40)46-38(28-52)50-48(56)44(46)30(3)4/h13-20,23-26,29-30,37-38,43-46,51-52H,5-12,21-22,27-28H2,1-4H3,(H,49,55)(H,50,56)/t37-,38-,43-,44-,45-,46?/m1/s1
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45n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133240
PNG
(CHEMBL135611 | Decanedioic acid ((2S,5S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(O)c4ccccc34)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C35H46N4O5/c1-23(2)34-35(44)37-26(22-40)21-24-20-25(16-18-30(24)39(34)3)36-32(42)14-8-6-4-5-7-9-15-33(43)38-29-17-19-31(41)28-13-11-10-12-27(28)29/h10-13,16-20,23,26,34,40-41H,4-9,14-15,21-22H2,1-3H3,(H,36,42)(H,37,44)(H,38,43)/t26-,34-/m0/s1
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57n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133246
PNG
(CHEMBL335486 | Hexanedioic acid [(S)-5-hydroxymeth...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C36H52N6O6/c1-21(2)33-35(47)40-28(20-44)17-24-16-25(13-14-29(24)41(33)5)37-31(45)9-7-8-10-32(46)38-26-12-11-23-15-27(19-43)39-36(48)34(22(3)4)42(6)30(23)18-26/h11-14,16,18,21-22,27-28,33-34,43-44H,7-10,15,17,19-20H2,1-6H3,(H,37,45)(H,38,46)(H,39,48)(H,40,47)/t27-,28-,33-,34-/m0/s1
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68n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133251
PNG
(CHEMBL336963 | Tetradecanedioic acid 4-(2-hydroxym...)
Show SMILES CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C50H64N2O8/c1-31(2)45-47(39(29-53)51-49(45)57)37-25-27-41(35-21-17-15-19-33(35)37)59-43(55)23-13-11-9-7-5-6-8-10-12-14-24-44(56)60-42-28-26-38(34-20-16-18-22-36(34)42)48-40(30-54)52-50(58)46(48)32(3)4/h15-22,25-28,31-32,39-40,45-48,53-54H,5-14,23-24,29-30H2,1-4H3,(H,51,57)(H,52,58)/t39-,40-,45-,46-,47-,48?/m1/s1
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154n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133248
PNG
(CHEMBL134413 | Dodecanedioic acid 4-(2-hydroxymeth...)
Show SMILES CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C48H60N2O8/c1-29(2)43-45(37(27-51)49-47(43)55)35-23-25-39(33-19-15-13-17-31(33)35)57-41(53)21-11-9-7-5-6-8-10-12-22-42(54)58-40-26-24-36(32-18-14-16-20-34(32)40)46-38(28-52)50-48(56)44(46)30(3)4/h13-20,23-26,29-30,37-38,43-46,51-52H,5-12,21-22,27-28H2,1-4H3,(H,49,55)(H,50,56)/t37-,38-,43-,44-,45-,46?/m1/s1
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169n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133245
PNG
(CHEMBL134690 | Octanedioic acid ((1S,6S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C38H56N6O6/c1-23(2)35-37(49)42-30(22-46)19-26-18-27(15-16-31(26)43(35)5)39-33(47)11-9-7-8-10-12-34(48)40-28-14-13-25-17-29(21-45)41-38(50)36(24(3)4)44(6)32(25)20-28/h13-16,18,20,23-24,29-30,35-36,45-46H,7-12,17,19,21-22H2,1-6H3,(H,39,47)(H,40,48)(H,41,50)(H,42,49)/t29-,30-,35-,36-/m0/s1
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170n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133241
PNG
(CHEMBL339383 | Octanedioic acid 4-(2-hydroxymethyl...)
Show SMILES CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C44H52N2O8/c1-25(2)39-41(33(23-47)45-43(39)51)31-19-21-35(29-15-11-9-13-27(29)31)53-37(49)17-7-5-6-8-18-38(50)54-36-22-20-32(28-14-10-12-16-30(28)36)42-34(24-48)46-44(52)40(42)26(3)4/h9-16,19-22,25-26,33-34,39-42,47-48H,5-8,17-18,23-24H2,1-4H3,(H,45,51)(H,46,52)/t33-,34-,39-,40-,41-,42?/m1/s1
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174n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133247
PNG
(CHEMBL337522 | Decanedioic acid 4-(2-hydroxymethyl...)
Show SMILES CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C46H56N2O8/c1-27(2)41-43(35(25-49)47-45(41)53)33-21-23-37(31-17-13-11-15-29(31)33)55-39(51)19-9-7-5-6-8-10-20-40(52)56-38-24-22-34(30-16-12-14-18-32(30)38)44-36(26-50)48-46(54)42(44)28(3)4/h11-18,21-24,27-28,35-36,41-44,49-50H,5-10,19-20,25-26H2,1-4H3,(H,47,53)(H,48,54)/t35-,36-,41-,42-,43-,44?/m1/s1
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208n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50122946
PNG
(CHEMBL334195 | Hexanoic acid (5-hydroxymethyl-2-is...)
Show SMILES CCCCCC(=O)Nc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C21H33N3O3/c1-5-6-7-8-19(26)22-16-9-10-18-15(11-16)12-17(13-25)23-21(27)20(14(2)3)24(18)4/h9-11,14,17,20,25H,5-8,12-13H2,1-4H3,(H,22,26)(H,23,27)/t17-,20-/m0/s1
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225n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133244
PNG
(CHEMBL134287 | Hexadecanedioic acid 4-(2-hydroxyme...)
Show SMILES CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C52H68N2O8/c1-33(2)47-49(41(31-55)53-51(47)59)39-27-29-43(37-23-19-17-21-35(37)39)61-45(57)25-15-13-11-9-7-5-6-8-10-12-14-16-26-46(58)62-44-30-28-40(36-22-18-20-24-38(36)44)50-42(32-56)54-52(60)48(50)34(3)4/h17-24,27-30,33-34,41-42,47-50,55-56H,5-16,25-26,31-32H2,1-4H3,(H,53,59)(H,54,60)/t41-,42-,47-,48-,49-,50?/m1/s1
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254n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133242
PNG
(CHEMBL448101 | Hexanedioic acid 4-(2-hydroxymethyl...)
Show SMILES CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C42H48N2O8/c1-23(2)37-39(31(21-45)43-41(37)49)29-17-19-33(27-13-7-5-11-25(27)29)51-35(47)15-9-10-16-36(48)52-34-20-18-30(26-12-6-8-14-28(26)34)40-32(22-46)44-42(50)38(40)24(3)4/h5-8,11-14,17-20,23-24,31-32,37-40,45-46H,9-10,15-16,21-22H2,1-4H3,(H,43,49)(H,44,50)/t31-,32-,37-,38-,39-,40?/m1/s1
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278n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133237
PNG
(CHEMBL133777 | Nonanoic acid 4-((2S,4R)-2-hydroxym...)
Show SMILES CCCCCCCCC(=O)Oc1ccc(C2[C@@H](CO)NC(=O)[C@@H]2C(C)C)c2ccccc12
Show InChI InChI=1S/C27H37NO4/c1-4-5-6-7-8-9-14-24(30)32-23-16-15-21(19-12-10-11-13-20(19)23)26-22(17-29)28-27(31)25(26)18(2)3/h10-13,15-16,18,22,25-26,29H,4-9,14,17H2,1-3H3,(H,28,31)/t22-,25-,26?/m1/s1
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296n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133250
PNG
(CHEMBL132525 | Docosanedioic acid 4-(2-hydroxymeth...)
Show SMILES CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C58H80N2O8/c1-39(2)53-55(47(37-61)59-57(53)65)45-33-35-49(43-29-25-23-27-41(43)45)67-51(63)31-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-32-52(64)68-50-36-34-46(42-28-24-26-30-44(42)50)56-48(38-62)60-58(66)54(56)40(3)4/h23-30,33-36,39-40,47-48,53-56,61-62H,5-22,31-32,37-38H2,1-4H3,(H,59,65)(H,60,66)/t47-,48-,53-,54-,55-,56?/m1/s1
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296n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133246
PNG
(CHEMBL335486 | Hexanedioic acid [(S)-5-hydroxymeth...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C36H52N6O6/c1-21(2)33-35(47)40-28(20-44)17-24-16-25(13-14-29(24)41(33)5)37-31(45)9-7-8-10-32(46)38-26-12-11-23-15-27(19-43)39-36(48)34(22(3)4)42(6)30(23)18-26/h11-14,16,18,21-22,27-28,33-34,43-44H,7-10,15,17,19-20H2,1-6H3,(H,37,45)(H,38,46)(H,39,48)(H,40,47)/t27-,28-,33-,34-/m0/s1
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320n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133245
PNG
(CHEMBL134690 | Octanedioic acid ((1S,6S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C38H56N6O6/c1-23(2)35-37(49)42-30(22-46)19-26-18-27(15-16-31(26)43(35)5)39-33(47)11-9-7-8-10-12-34(48)40-28-14-13-25-17-29(21-45)41-38(50)36(24(3)4)44(6)32(25)20-28/h13-16,18,20,23-24,29-30,35-36,45-46H,7-12,17,19,21-22H2,1-6H3,(H,39,47)(H,40,48)(H,41,50)(H,42,49)/t29-,30-,35-,36-/m0/s1
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558n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133234
PNG
(CHEMBL132714 | N-(5-Hydroxymethyl-2-isopropyl-1-me...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)COCCOCCOCCOCCOCCOCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O12/c1-29(2)41-43(55)48-36(26-52)23-32-22-33(9-10-37(32)49(41)5)45-39(53)27-61-19-17-59-15-13-57-11-12-58-14-16-60-18-20-62-28-40(54)46-34-8-7-31-21-35(25-51)47-44(56)42(30(3)4)50(6)38(31)24-34/h7-10,22,24,29-30,35-36,41-42,51-52H,11-21,23,25-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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4.47E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133239
PNG
(CHEMBL334451 | N-(5-Hydroxymethyl-2-isopropyl-1-me...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)COCCOCCOCCOCCOCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C42H64N6O11/c1-27(2)39-41(53)46-34(24-50)21-30-20-31(9-10-35(30)47(39)5)43-37(51)25-58-17-15-56-13-11-55-12-14-57-16-18-59-26-38(52)44-32-8-7-29-19-33(23-49)45-42(54)40(28(3)4)48(6)36(29)22-32/h7-10,20,22,27-28,33-34,39-40,49-50H,11-19,21,23-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,54)(H,46,53)/t33-,34-,39-,40-/m0/s1
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7.86E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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n/an/an/a 0.280n/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for human Protein kinase C alpha with [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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n/an/an/a 1n/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for human Protein kinase C delta


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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n/an/an/a 0.370n/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for human Protein kinase C epsilon


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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n/an/an/a 0.160n/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for human Protein kinase C gamma with [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50133236
PNG
(CHEMBL337834 | Tetradecanedioic acid ((S)-5-hydrox...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C44H68N6O6/c1-29(2)41-43(55)48-36(28-52)25-32-24-33(21-22-37(32)49(41)5)45-39(53)17-15-13-11-9-7-8-10-12-14-16-18-40(54)46-34-20-19-31-23-35(27-51)47-44(56)42(30(3)4)50(6)38(31)26-34/h19-22,24,26,29-30,35-36,41-42,51-52H,7-18,23,25,27-28H2,1-6H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)/t35-,36-,41-,42-/m0/s1
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n/an/an/a 0.190n/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for human PKC beta-1


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair