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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 399.5
BDBM50229773

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 10 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C theta type


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



Kyoto University

Curated by ChEMBL


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


J Med Chem 51: 46-56 (2008)


Article DOI: 10.1021/jm0706719
BindingDB Entry DOI: 10.7270/Q2445M7Q
More data for this
Ligand-Target Pair
Protein kinase C 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 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
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))
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 alpha 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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6.70E+3n/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 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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9.20E+3n/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))
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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>1.00E+4n/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
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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1.10E+4n/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