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BDBM50057510 (2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,4,5,6-tetrahydro-2H-benzo[e][1,4]diazocin-3-one::CHEMBL28205

SMILES: CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1

InChI Key: InChIKey=VEMLCWMDXJGJLI-UPVQGACJSA-N

Data: 19 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50057510   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C theta type


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



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


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



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


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



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C gamma C1a domain


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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32n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from recombinant Protein kinase C delta


J Med Chem 41: 1476-96 (1998)


Article DOI: 10.1021/jm970704s
BindingDB Entry DOI: 10.7270/Q2RV0MT8
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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47n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from recombinant PKC alpha expressed in baculovirus


J Med Chem 40: 1316-26 (1997)


Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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58.2n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from recombinant PKC beta expressed in baculovirus


J Med Chem 40: 1316-26 (1997)


Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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140n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from recombinant PKC gamma expressed in baculovirus


J Med Chem 40: 1316-26 (1997)


Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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151n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C gamma C1a domain


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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185n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from recombinant PKC delta expressed in baculovirus


J Med Chem 40: 1316-26 (1997)


Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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187n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from recombinant PKC epsilon expressed in baculovirus


J Med Chem 40: 1316-26 (1997)


Article DOI: 10.1021/jm960875h
BindingDB Entry DOI: 10.7270/Q2319TZS
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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261n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C gamma C1a domain


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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323n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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442n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C beta C1a


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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1.66E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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2.49E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C delta C1a domain


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50057510
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-13,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1
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2.77E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C delta C1a domain


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
PKC alpha and beta-2


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

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PC cid
PC sid
UniChem
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4.69E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C gamma C1a domain


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


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

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PC cid
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UniChem
PubMed
8.36E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair