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Compile Data Set for Download or QSAR

Found 379 hits with Last Name = 'lippa' and Initial = 'b'   
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 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 |t:36|
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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2.5n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
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 |t:36|
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)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(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 |t:36|
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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13n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C beta C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(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 |t:36|
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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18n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C epsilon C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, eta


(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 |t:36|
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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24n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C eta C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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24n/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)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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36n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C beta C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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55n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C epsilon C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50078563
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 |t:36|
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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64n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1a domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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 |t:36|
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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66n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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70n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C eta C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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85n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C gamma C1a domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C alpha 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 |t:36|
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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126n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C alpha C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50078563
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 |t:36|
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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148n/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)


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50078563
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 |t:36|
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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280n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C beta C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50078563
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 |t:36|
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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490n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C epsilon C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50078563
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 |t:36|
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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494n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1a domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50078563
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 |t:36|
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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>500n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C gamma C1a domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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>500n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C gamma C1a domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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>500n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C alpha C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(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 |t:36|
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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>500n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C gamma C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50078563
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 |t:36|
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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>500n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C gamma C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50078563
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 |t:36|
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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>500n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C alpha C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50078563
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 |t:36|
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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>500n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C eta C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(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 |t:36|
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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>500n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50078564
PNG
(CHEMBL45053 | Octanoic acid (E)-(1S,5S,9S,11S,15R,...)
Show SMILES CCCCCCCC(=O)O[C@H]1\C(CC2C[C@@H](OC(=O)C[C@H](O)CCO[C@@H](C[C@@H]3CCO[C@@H](O3)\C=C\C(C)(C)[C@]1(O)O2)C(C)(C)C)[C@@H](C)O)=C\C(=O)OC |t:34|
Show InChI InChI=1S/C40H66O13/c1-9-10-11-12-13-14-33(43)52-37-27(22-34(44)47-8)21-30-24-31(26(2)41)51-35(45)23-28(42)16-19-48-32(38(3,4)5)25-29-17-20-49-36(50-29)15-18-39(6,7)40(37,46)53-30/h15,18,22,26,28-32,36-37,41-42,46H,9-14,16-17,19-21,23-25H2,1-8H3/b18-15+,27-22+/t26-,28-,29+,30?,31-,32+,36+,37+,40-/m1/s1
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>500n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C gamma C1b domain


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


BindingDB Entry DOI: 10.7270/Q2M907VD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50113443
PNG
(CHEMBL3604484)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccn1
Show InChI InChI=1S/C20H20ClN3O2S/c1-20(2,3)14-5-8-16(9-6-14)27(25,26)24-18-10-7-15(21)13-17(18)19-22-11-4-12-23-19/h4-13,24H,1-3H3
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)


BindingDB Entry DOI: 10.7270/Q2RR2123
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50322393
PNG
((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12 |r|
Show InChI InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50322395
PNG
((S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12 |r|
Show InChI InChI=1S/C19H20F2N6O/c1-11-7-23-16-15(11)17(26-10-25-16)27-5-4-19(22,9-27)8-24-18(28)13-3-2-12(20)6-14(13)21/h2-3,6-7,10H,4-5,8-9,22H2,1H3,(H,24,28)(H,23,25,26)/t19-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24922
PNG
(5-(carbamoylamino)-3-{6,7,8,9-tetrahydro-5H-benzo[...)
Show SMILES NC(=O)Nc1snc(SC2CCCCc3ccccc23)c1C(N)=O
Show InChI InChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2,(H2,17,21)(H3,18,19,22)
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Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24923
PNG
(5-(carbamoylamino)-3-[(5R)-6,7,8,9-tetrahydro-5H-b...)
Show SMILES NC(=O)Nc1snc(S[C@@H]2CCCCc3ccccc23)c1C(N)=O |r|
Show InChI InChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2,(H2,17,21)(H3,18,19,22)/t11-/m1/s1
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Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50322394
PNG
((S)-N-((3-amino-1-(5-chloro-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES N[C@]1(CNC(=O)c2ccc(F)cc2F)CCN(C1)c1ncnc2[nH]cc(Cl)c12 |r|
Show InChI InChI=1S/C18H17ClF2N6O/c19-12-6-23-15-14(12)16(26-9-25-15)27-4-3-18(22,8-27)7-24-17(28)11-2-1-10(20)5-13(11)21/h1-2,5-6,9H,3-4,7-8,22H2,(H,24,28)(H,23,25,26)/t18-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50322401
PNG
((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4)C3)c12 |r|
Show InChI InChI=1S/C20H23FN6O/c1-2-13-9-23-17-16(13)18(26-12-25-17)27-8-7-20(22,11-27)10-24-19(28)14-3-5-15(21)6-4-14/h3-6,9,12H,2,7-8,10-11,22H2,1H3,(H,24,28)(H,23,25,26)/t20-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50178705
PNG
(CHEMBL3814804)
Show SMILES CC(C)(C)c1ccc(Cn2c(cc3cnc(Cl)cc23)C(O)=O)cc1
Show InChI InChI=1S/C19H19ClN2O2/c1-19(2,3)14-6-4-12(5-7-14)11-22-15-9-17(20)21-10-13(15)8-16(22)18(23)24/h4-10H,11H2,1-3H3,(H,23,24)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...


Bioorg Med Chem Lett 26: 3322-3325 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ5BQX
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50322397
PNG
((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...)
Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(Cl)cc4)C3)c12 |r|
Show InChI InChI=1S/C20H23ClN6O/c1-2-13-9-23-17-16(13)18(26-12-25-17)27-8-7-20(22,11-27)10-24-19(28)14-3-5-15(21)6-4-14/h3-6,9,12H,2,7-8,10-11,22H2,1H3,(H,24,28)(H,23,25,26)/t20-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM24855
PNG
(4-{1,2-dihydrospiro[indole-3,4'-piperidine]}-7H-py...)
Show SMILES N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
Show InChI InChI=1S/C19H18N6/c20-9-13-10-22-17-16(13)18(24-12-23-17)25-11-19(5-7-21-8-6-19)14-3-1-2-4-15(14)25/h1-4,10,12,21H,5-8,11H2,(H,22,23,24)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM24855
PNG
(4-{1,2-dihydrospiro[indole-3,4'-piperidine]}-7H-py...)
Show SMILES N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
Show InChI InChI=1S/C19H18N6/c20-9-13-10-22-17-16(13)18(24-12-23-17)25-11-19(5-7-21-8-6-19)14-3-1-2-4-15(14)25/h1-4,10,12,21H,5-8,11H2,(H,22,23,24)
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Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50322402
PNG
((S)-N-((3-amino-1-(5-chloro-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES N[C@]1(CNC(=O)c2ccc(F)cc2)CCN(C1)c1ncnc2[nH]cc(Cl)c12 |r|
Show InChI InChI=1S/C18H18ClFN6O/c19-13-7-22-15-14(13)16(25-10-24-15)26-6-5-18(21,9-26)8-23-17(27)11-1-3-12(20)4-2-11/h1-4,7,10H,5-6,8-9,21H2,(H,23,27)(H,22,24,25)/t18-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50322403
PNG
((S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4)C3)c12 |r|
Show InChI InChI=1S/C19H21FN6O/c1-12-8-22-16-15(12)17(25-11-24-16)26-7-6-19(21,10-26)9-23-18(27)13-2-4-14(20)5-3-13/h2-5,8,11H,6-7,9-10,21H2,1H3,(H,23,27)(H,22,24,25)/t19-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24899
PNG
(3-{[1-(4-chlorophenyl)ethyl]sulfanyl}-5-[(methylca...)
Show SMILES CNC(=O)Nc1snc(SC(C)c2ccc(Cl)cc2)c1C(N)=O
Show InChI InChI=1S/C14H15ClN4O2S2/c1-7(8-3-5-9(15)6-4-8)22-13-10(11(16)20)12(23-19-13)18-14(21)17-2/h3-7H,1-2H3,(H2,16,20)(H2,17,18,21)
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Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM24848
PNG
(5-fluoro-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...)
Show SMILES Fc1ccc2N(CC3(CCNCC3)c2c1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H18FN5/c19-12-1-2-15-14(9-12)18(4-7-20-8-5-18)10-24(15)17-13-3-6-21-16(13)22-11-23-17/h1-3,6,9,11,20H,4-5,7-8,10H2,(H,21,22,23)
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Pfizer



Assay Description
A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...


Bioorg Med Chem Lett 18: 3359-63 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M043QC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50113441
PNG
(CHEMBL3604486)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nccnc1N
Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-17-9-6-14(21)12-16(17)18-19(22)24-11-10-23-18/h4-12,25H,1-3H3,(H2,22,24)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)


BindingDB Entry DOI: 10.7270/Q2RR2123
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50113442
PNG
(CHEMBL3604485)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncncc1N
Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-18-9-6-14(21)10-16(18)19-17(22)11-23-12-24-19/h4-12,25H,22H2,1-3H3
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)


BindingDB Entry DOI: 10.7270/Q2RR2123
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50322398
PNG
((S)-N-((3-amino-1-(5-chloro-7H-pyrrolo[2,3-d]pyrim...)
Show SMILES N[C@]1(CNC(=O)c2ccc(Cl)cc2)CCN(C1)c1ncnc2[nH]cc(Cl)c12 |r|
Show InChI InChI=1S/C18H18Cl2N6O/c19-12-3-1-11(2-4-12)17(27)23-8-18(21)5-6-26(9-18)16-14-13(20)7-22-15(14)24-10-25-16/h1-4,7,10H,5-6,8-9,21H2,(H,23,27)(H,22,24,25)/t18-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50113352
PNG
(CHEMBL3604487)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nnccc1N
Show InChI InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-4-7-15(8-5-13)28(26,27)25-18-9-6-14(21)12-16(18)19-17(22)10-11-23-24-19/h4-12,25H,1-3H3,(H2,22,23)
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Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)


BindingDB Entry DOI: 10.7270/Q2RR2123
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM24901
PNG
(3-{[(1R)-1-(4-chlorophenyl)propyl]sulfanyl}-5-[(me...)
Show SMILES CC[C@@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H17ClN4O2S2/c1-3-10(8-4-6-9(16)7-5-8)23-14-11(12(17)21)13(24-20-14)19-15(22)18-2/h4-7,10H,3H2,1-2H3,(H2,17,21)(H2,18,19,22)/t10-/m1/s1
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Pfizer



Assay Description
The kinase domain of the human TrkA receptor in phosphorylation buffer with 0.5 uM ATP is incubated in plates coated with PGT substrate. Compounds ar...


Bioorg Med Chem Lett 16: 3444-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.003
BindingDB Entry DOI: 10.7270/Q26Q1VH5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50322388
PNG
(5-chloro-4-(2,8-diazaspiro[4.5]decan-2-yl)-7H-pyrr...)
Show SMILES Clc1c[nH]c2ncnc(N3CCC4(C3)CCNCC4)c12
Show InChI InChI=1S/C14H18ClN5/c15-10-7-17-12-11(10)13(19-9-18-12)20-6-3-14(8-20)1-4-16-5-2-14/h7,9,16H,1-6,8H2,(H,17,18,19)
PDB

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antibodypedia
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 90 mins by IMAP assay


J Med Chem 53: 4615-22 (2010)


Article DOI: 10.1021/jm1003842
BindingDB Entry DOI: 10.7270/Q24X580C
More data for this
Ligand-Target Pair
C-C chemokine receptor type 9


(Homo sapiens (Human))
BDBM50113354
PNG
(CHEMBL3604489)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1nc(N)ncc1O
Show InChI InChI=1S/C20H21ClN4O3S/c1-20(2,3)12-4-7-14(8-5-12)29(27,28)25-16-9-6-13(21)10-15(16)18-17(26)11-23-19(22)24-18/h4-11,25-26H,1-3H3,(H2,22,23,24)
PDB

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UniProtKB/SwissProt

antibodypedia
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n/an/a 4n/an/an/an/an/an/a



Cubist Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...


Bioorg Med Chem Lett 25: 3661-4 (2015)


BindingDB Entry DOI: 10.7270/Q2RR2123
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus)
BDBM50173889
PNG
(CHEMBL3809400)
Show SMILES C=CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H13N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h2-7,9-10H,1,8H2,(H,20,21)
PDB
MMDB

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n/an/a 4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
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