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Compile Data Set for Download or QSAR

Found 309 hits with Last Name = 'saito' and Initial = 'n'   
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 eta 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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PubMed
0.340n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCeta 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 delta 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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0.460n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCdelta 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 epsilon 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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0.470n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCepsilon 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))
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 eta 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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5.5n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCeta 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 alpha 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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5.80n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCalpha C1A 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 epsilon 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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7.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCepsilon 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


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 beta 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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9.80n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCbeta C1A 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 beta 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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11n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCbeta 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 delta 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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11n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCdelta 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))
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
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM26214
PNG
((3S,6S,10aS)-6-[(2S)-2-aminopropanamido]-N-(diphen...)
Show SMILES C[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N4O3/c1-18(28)25(32)29-22-15-9-8-14-21-16-17-23(31(21)27(22)34)26(33)30-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,18,21-24H,8-9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t18-,21-,22-,23-/m0/s1
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14 -44.4n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM26223
PNG
((3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H36N4O3/c1-16(26-2)23(30)28-21-12-6-4-10-18-14-15-22(29(18)25(21)32)24(31)27-20-13-7-9-17-8-3-5-11-19(17)20/h3,5,8,11,16,18,20-22,26H,4,6-7,9-10,12-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,18-,20+,21-,22-/m0/s1
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14 -44.4n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM26225
PNG
((3S,6S,10aS)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C24H34N4O3/c1-15(25-2)22(29)27-20-10-6-4-8-17-12-14-21(28(17)24(20)31)23(30)26-19-13-11-16-7-3-5-9-18(16)19/h3,5,7,9,15,17,19-21,25H,4,6,8,10-14H2,1-2H3,(H,26,30)(H,27,29)/t15-,17-,19+,20-,21-/m0/s1
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15 -44.2n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
Protein kinase C delta 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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15n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCdelta 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 beta 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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19n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCbeta C1A 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 alpha 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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PubMed
21n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCalpha C1A 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 eta 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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25n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCeta 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
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM13211
PNG
((3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1
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25 -43.0n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM26218
PNG
((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/m0/s1
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26 -42.9n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
Protein kinase C epsilon 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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29n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCepsilon 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 gamma 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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39n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCgamma C1A 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
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM26215
PNG
((3S,6S,10aS)-6-[(2S)-2-aminobutanamido]-N-(dipheny...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H36N4O3/c1-2-22(29)26(33)30-23-16-10-9-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21-25H,2,9-10,15-18,29H2,1H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1
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39 -41.9n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
Protein kinase C gamma 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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39n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCgamma 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 alpha 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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43n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCalpha 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
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM26217
PNG
((3S,6S,10aS)-6-[(2S)-2-aminobutanamido]-N-[(S)-nap...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C32H38N4O3/c1-2-26(33)30(37)34-27-15-9-8-14-25-18-19-28(36(25)32(27)39)31(38)35-29(22-11-4-3-5-12-22)24-17-16-21-10-6-7-13-23(21)20-24/h3-7,10-13,16-17,20,25-29H,2,8-9,14-15,18-19,33H2,1H3,(H,34,37)(H,35,38)/t25-,26-,27-,28-,29-/m0/s1
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47 -41.4n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
Protein kinase C gamma 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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59n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCgamma 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 gamma 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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59n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCgamma C1A 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
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM26212
PNG
((3S,6S,9aS)-6-[(2S)-2-aminopropanamido]-N-(dipheny...)
Show SMILES C[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H32N4O3/c1-17(27)24(31)28-21-14-8-13-20-15-16-22(30(20)26(21)33)25(32)29-23(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,17,20-23H,8,13-16,27H2,1H3,(H,28,31)(H,29,32)/t17-,20-,21-,22-/m0/s1
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60 -40.8n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM13212
PNG
((3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylam...)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1
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61 -40.8n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM26219
PNG
((3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methyla...)
Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H38N4O3/c1-3-23(30-2)27(34)31-24-17-11-10-16-22-18-19-25(33(22)29(24)36)28(35)32-26(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,22-26,30H,3,10-11,16-19H2,1-2H3,(H,31,34)(H,32,35)/t22-,23-,24-,25-/m0/s1
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67 -40.5n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM26211
PNG
((3S,6S,10aS)-6-[(2S)-2-aminopropanamido]-N-benzyl-...)
Show SMILES C[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C21H30N4O3/c1-14(22)19(26)24-17-10-6-5-9-16-11-12-18(25(16)21(17)28)20(27)23-13-15-7-3-2-4-8-15/h2-4,7-8,14,16-18H,5-6,9-13,22H2,1H3,(H,23,27)(H,24,26)/t14-,16-,17-,18-/m0/s1
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100 -39.6n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
Protein kinase C beta 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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140n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCbeta 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 eta type


(Homo sapiens (Human))
BDBM50185931
PNG
(8-Octyl-benzolactam-V9 | CHEMBL206866)
Show SMILES CCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CCc12
Show InChI InChI=1S/C24H40N2O2/c1-5-6-7-8-9-10-12-19-13-11-14-22-21(19)16-15-20(17-27)25-24(28)23(18(2)3)26(22)4/h11,13-14,18,20,23,27H,5-10,12,15-17H2,1-4H3,(H,25,28)/t20-,23-/m0/s1
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140n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCeta 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 eta type


(Homo sapiens (Human))
BDBM50185931
PNG
(8-Octyl-benzolactam-V9 | CHEMBL206866)
Show SMILES CCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CCc12
Show InChI InChI=1S/C24H40N2O2/c1-5-6-7-8-9-10-12-19-13-11-14-22-21(19)16-15-20(17-27)25-24(28)23(18(2)3)26(22)4/h11,13-14,18,20,23,27H,5-10,12,15-17H2,1-4H3,(H,25,28)/t20-,23-/m0/s1
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144n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]phorbol 12,13-dibutyrate from PKC eta-C1B


J Med Chem 49: 2681-8 (2006)


Article DOI: 10.1021/jm050857c
BindingDB Entry DOI: 10.7270/Q2BR8RSR
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM26210
PNG
((3S,6S,9aS)-6-[(2S)-2-aminopropanamido]-N-benzyl-5...)
Show SMILES C[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C20H28N4O3/c1-13(21)18(25)23-16-9-5-8-15-10-11-17(24(15)20(16)27)19(26)22-12-14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8-12,21H2,1H3,(H,22,26)(H,23,25)/t13-,15-,16-,17-/m0/s1
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150 -38.6n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50185931
PNG
(8-Octyl-benzolactam-V9 | CHEMBL206866)
Show SMILES CCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CCc12
Show InChI InChI=1S/C24H40N2O2/c1-5-6-7-8-9-10-12-19-13-11-14-22-21(19)16-15-20(17-27)25-24(28)23(18(2)3)26(22)4/h11,13-14,18,20,23,27H,5-10,12,15-17H2,1-4H3,(H,25,28)/t20-,23-/m0/s1
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216n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]phorbol 12,13-dibutyrate from PKC delta-C1B


J Med Chem 49: 2681-8 (2006)


Article DOI: 10.1021/jm050857c
BindingDB Entry DOI: 10.7270/Q2BR8RSR
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50185931
PNG
(8-Octyl-benzolactam-V9 | CHEMBL206866)
Show SMILES CCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CCc12
Show InChI InChI=1S/C24H40N2O2/c1-5-6-7-8-9-10-12-19-13-11-14-22-21(19)16-15-20(17-27)25-24(28)23(18(2)3)26(22)4/h11,13-14,18,20,23,27H,5-10,12,15-17H2,1-4H3,(H,25,28)/t20-,23-/m0/s1
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220n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCdelta 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
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM26224
PNG
((3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H36N4O3/c1-16(26-2)23(30)28-21-12-6-4-10-18-14-15-22(29(18)25(21)32)24(31)27-20-13-7-9-17-8-3-5-11-19(17)20/h3,5,8,11,16,18,20-22,26H,4,6-7,9-10,12-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,18-,20-,21-,22-/m0/s1
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274 -37.1n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM13142
PNG
((2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylb...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C20H30N4O3/c1-13(2)17(23-18(25)14(3)21)20(27)24-11-7-10-16(24)19(26)22-12-15-8-5-4-6-9-15/h4-6,8-9,13-14,16-17H,7,10-12,21H2,1-3H3,(H,22,26)(H,23,25)/t14-,16-,17-/m0/s1
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290 -36.9n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50185931
PNG
(8-Octyl-benzolactam-V9 | CHEMBL206866)
Show SMILES CCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CCc12
Show InChI InChI=1S/C24H40N2O2/c1-5-6-7-8-9-10-12-19-13-11-14-22-21(19)16-15-20(17-27)25-24(28)23(18(2)3)26(22)4/h11,13-14,18,20,23,27H,5-10,12,15-17H2,1-4H3,(H,25,28)/t20-,23-/m0/s1
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290n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]phorbol 12,13-dibutyrate from PKC theta-C1B


J Med Chem 49: 2681-8 (2006)


Article DOI: 10.1021/jm050857c
BindingDB Entry DOI: 10.7270/Q2BR8RSR
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50185931
PNG
(8-Octyl-benzolactam-V9 | CHEMBL206866)
Show SMILES CCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CCc12
Show InChI InChI=1S/C24H40N2O2/c1-5-6-7-8-9-10-12-19-13-11-14-22-21(19)16-15-20(17-27)25-24(28)23(18(2)3)26(22)4/h11,13-14,18,20,23,27H,5-10,12,15-17H2,1-4H3,(H,25,28)/t20-,23-/m0/s1
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290n/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
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM13210
PNG
((3S,6S,8aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...)
Show SMILES CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H32N4O3/c1-2-20(27)24(31)28-21-15-13-19-14-16-22(30(19)26(21)33)25(32)29-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-23H,2,13-16,27H2,1H3,(H,28,31)(H,29,32)/t19-,20-,21-,22-/m0/s1
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350 -36.5n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50057513
PNG
((2S,5S)-5-Hydroxymethyl-2-isopropyl-1-methyl-1,4,5...)
Show SMILES CC(C)[C@@H]1N(C)c2ccccc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C15H22N2O2/c1-10(2)14-15(19)16-12(9-18)8-11-6-4-5-7-13(11)17(14)3/h4-7,10,12,14,18H,8-9H2,1-3H3,(H,16,19)/t12-,14-/m0/s1
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410n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCdelta 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 gamma 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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420n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCgamma 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 beta 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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440n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCbeta 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 epsilon type


(Homo sapiens (Human))
BDBM50185931
PNG
(8-Octyl-benzolactam-V9 | CHEMBL206866)
Show SMILES CCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CCc12
Show InChI InChI=1S/C24H40N2O2/c1-5-6-7-8-9-10-12-19-13-11-14-22-21(19)16-15-20(17-27)25-24(28)23(18(2)3)26(22)4/h11,13-14,18,20,23,27H,5-10,12,15-17H2,1-4H3,(H,25,28)/t20-,23-/m0/s1
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510n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]phorbol 12,13-dibutyrate from PKC epsilon-C1B


J Med Chem 49: 2681-8 (2006)


Article DOI: 10.1021/jm050857c
BindingDB Entry DOI: 10.7270/Q2BR8RSR
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM50185931
PNG
(8-Octyl-benzolactam-V9 | CHEMBL206866)
Show SMILES CCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CCc12
Show InChI InChI=1S/C24H40N2O2/c1-5-6-7-8-9-10-12-19-13-11-14-22-21(19)16-15-20(17-27)25-24(28)23(18(2)3)26(22)4/h11,13-14,18,20,23,27H,5-10,12,15-17H2,1-4H3,(H,25,28)/t20-,23-/m0/s1
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510n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from PKCepsilon 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
E3 ubiquitin-protein ligase XIAP [241-356]


(Homo sapiens (Human))
BDBM13200
PNG
((2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamid...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(N)=O |r|
Show InChI InChI=1S/C19H35N5O4/c1-6-11(4)15(16(21)25)23-18(27)13-8-7-9-24(13)19(28)14(10(2)3)22-17(26)12(5)20/h10-15H,6-9,20H2,1-5H3,(H2,21,25)(H,22,26)(H,23,27)/t11-,12-,13-,14-,15-/m0/s1
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580 -35.2n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization was measured on an Ultra plate reader at excitation and emission wavelengths of 485 and 530 nm, respectively. The equilibri...


J Med Chem 51: 7169-80 (2008)


Article DOI: 10.1021/jm8006849
BindingDB Entry DOI: 10.7270/Q2CZ35G5
More data for this
Ligand-Target Pair
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