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BDBM50133239 CHEMBL334451::N-(5-Hydroxymethyl-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-9-yl)-2-(2-{2-[2-(2-N-(5-Hydroxymethyl-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-9-yl)carbamoylmethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-acetamide

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

InChI Key: InChIKey=KENTVSIRIQTOKG-XFEDHCIASA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133239   
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, alpha


(Bos taurus (bovine))
BDBM50133239
PNG
(CHEMBL334451 | N-(5-Hydroxymethyl-2-isopropyl-1-me...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)COCCOCCOCCOCCOCC(=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/C42H64N6O11/c1-27(2)39-41(53)46-34(24-50)21-30-20-31(9-10-35(30)47(39)5)43-37(51)25-58-17-15-56-13-11-55-12-14-57-16-18-59-26-38(52)44-32-8-7-29-19-33(23-49)45-42(54)40(28(3)4)48(6)36(29)22-32/h7-10,20,22,27-28,33-34,39-40,49-50H,11-19,21,23-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,54)(H,46,53)/t33-,34-,39-,40-/m0/s1
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PC cid
PC sid
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Article
PubMed
7.86E+3n/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