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BDBM50133245 CHEMBL134690::Octanedioic acid ((1S,6S)-5-hydroxymethyl-2-isopropyl-1-methyl-3-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)CCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O

InChI Key: InChIKey=QQBWSORAVMNVHR-ACZARZSMSA-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 = 50133245   
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)
BDBM50133245
PNG
(CHEMBL134690 | Octanedioic acid ((1S,6S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCC(=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/C38H56N6O6/c1-23(2)35-37(49)42-30(22-46)19-26-18-27(15-16-31(26)43(35)5)39-33(47)11-9-7-8-10-12-34(48)40-28-14-13-25-17-29(21-45)41-38(50)36(24(3)4)44(6)32(25)20-28/h13-16,18,20,23-24,29-30,35-36,45-46H,7-12,17,19,21-22H2,1-6H3,(H,39,47)(H,40,48)(H,41,50)(H,42,49)/t29-,30-,35-,36-/m0/s1
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31n/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)
BDBM50133245
PNG
(CHEMBL134690 | Octanedioic acid ((1S,6S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCC(=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/C38H56N6O6/c1-23(2)35-37(49)42-30(22-46)19-26-18-27(15-16-31(26)43(35)5)39-33(47)11-9-7-8-10-12-34(48)40-28-14-13-25-17-29(21-45)41-38(50)36(24(3)4)44(6)32(25)20-28/h13-16,18,20,23-24,29-30,35-36,45-46H,7-12,17,19,21-22H2,1-6H3,(H,39,47)(H,40,48)(H,41,50)(H,42,49)/t29-,30-,35-,36-/m0/s1
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170n/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))
BDBM50133245
PNG
(CHEMBL134690 | Octanedioic acid ((1S,6S)-5-hydroxy...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCC(=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/C38H56N6O6/c1-23(2)35-37(49)42-30(22-46)19-26-18-27(15-16-31(26)43(35)5)39-33(47)11-9-7-8-10-12-34(48)40-28-14-13-25-17-29(21-45)41-38(50)36(24(3)4)44(6)32(25)20-28/h13-16,18,20,23-24,29-30,35-36,45-46H,7-12,17,19,21-22H2,1-6H3,(H,39,47)(H,40,48)(H,41,50)(H,42,49)/t29-,30-,35-,36-/m0/s1
PDB
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Reactome pathway
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558n/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