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BDBM50133250 CHEMBL132525::Docosanedioic acid 4-(2-hydroxymethyl-4-isopropyl-5-oxo-pyrrolidin-3-yl)-naphthalen-1-yl ester naphthalen 4-(2-hydroxymethyl-4-isopropyl-5-oxo-pyrrolidin-3-yl)-1-yl ester

SMILES: CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12

InChI Key: InChIKey=LZSDOFCLPLQITN-HSIODSGISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133250   
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))
BDBM50133250
PNG
(CHEMBL132525 | Docosanedioic acid 4-(2-hydroxymeth...)
Show SMILES CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C58H80N2O8/c1-39(2)53-55(47(37-61)59-57(53)65)45-33-35-49(43-29-25-23-27-41(43)45)67-51(63)31-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-32-52(64)68-50-36-34-46(42-28-24-26-30-44(42)50)56-48(38-62)60-58(66)54(56)40(3)4/h23-30,33-36,39-40,47-48,53-56,61-62H,5-22,31-32,37-38H2,1-4H3,(H,59,65)(H,60,66)/t47-,48-,53-,54-,55-,56?/m1/s1
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Article
PubMed
296n/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