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BDBM50133243 CHEMBL132612::Decanedioic acid ((S)-5-hydroxymethyl-2-isopropyl-1-methyl-3-(S)-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-8-yl)-amide ((S)-5-hydroxymethyl-2-isopropyl-1-(S)-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-9-yl)-amide

SMILES: CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O

InChI Key: InChIKey=PPGHRBWECGBPPP-BHBXGUOQSA-N

Data: 3 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 3 hits for monomerid = 50133243   
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 delta


(Mus musculus)
BDBM50133243
PNG
(CHEMBL132612 | Decanedioic acid ((S)-5-hydroxymeth...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C40H60N6O6/c1-25(2)37-39(51)44-32(24-48)21-28-20-29(17-18-33(28)45(37)5)41-35(49)13-11-9-7-8-10-12-14-36(50)42-30-16-15-27-19-31(23-47)43-40(52)38(26(3)4)46(6)34(27)22-30/h15-18,20,22,25-26,31-32,37-38,47-48H,7-14,19,21,23-24H2,1-6H3,(H,41,49)(H,42,50)(H,43,52)(H,44,51)/t31-,32-,37-,38-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133243
PNG
(CHEMBL132612 | Decanedioic acid ((S)-5-hydroxymeth...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C40H60N6O6/c1-25(2)37-39(51)44-32(24-48)21-28-20-29(17-18-33(28)45(37)5)41-35(49)13-11-9-7-8-10-12-14-36(50)42-30-16-15-27-19-31(23-47)43-40(52)38(26(3)4)46(6)34(27)22-30/h15-18,20,22,25-26,31-32,37-38,47-48H,7-14,19,21,23-24H2,1-6H3,(H,41,49)(H,42,50)(H,43,52)(H,44,51)/t31-,32-,37-,38-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein Kinase C, alpha


(Bos taurus (bovine))
BDBM50133243
PNG
(CHEMBL132612 | Decanedioic acid ((S)-5-hydroxymeth...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C40H60N6O6/c1-25(2)37-39(51)44-32(24-48)21-28-20-29(17-18-33(28)45(37)5)41-35(49)13-11-9-7-8-10-12-14-36(50)42-30-16-15-27-19-31(23-47)43-40(52)38(26(3)4)46(6)34(27)22-30/h15-18,20,22,25-26,31-32,37-38,47-48H,7-14,19,21,23-24H2,1-6H3,(H,41,49)(H,42,50)(H,43,52)(H,44,51)/t31-,32-,37-,38-/m0/s1
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38n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant bovine Protein kinase C alpha in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair