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BDBM50132246 7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5,6-tetrahydro-benzo[e][1,4]oxazocin-3-one::CHEMBL103091

SMILES: CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12

InChI Key: InChIKey=OYPYXQXNEBSSGB-URXFXBBRSA-N

Data: 13 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 13 hits for monomerid = 50132246   
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, PKC; classical/novel


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/m0/s1
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92n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C Delta-C1B domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/m0/s1
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111n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C eta-C1B domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/m0/s1
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167n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C Theta-C1B domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/m0/s1
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539n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C Delta-C1B domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/m0/s1
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540n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C epsilon-C1B domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/m0/s1
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870n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C Delta-C1B domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/m0/s1
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970n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C Alpha-C1B domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/m0/s1
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1.72E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C gamma-C1B domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/m0/s1
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2.69E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C Beta-C1B domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/m0/s1
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4.25E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C Beta-C1A domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/m0/s1
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7.88E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C epsilon-C1A domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/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 protein kinase C Alpha-C1B domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50132246
PNG
(7-Decyl-5-hydroxymethyl-2-isopropyl-1-methyl-1,2,5...)
Show SMILES CCCCCCCCCCc1cccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc12
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-14-20-15-13-16-23-22(20)17-21(18-27)29-25(28)24(19(2)3)26(23)4/h13,15-16,19,21,24,27H,5-12,14,17-18H2,1-4H3/t21-,24-/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 protein kinase C Delta-C1A domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair