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BDBM50133247 CHEMBL337522::Decanedioic 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)CCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12

InChI Key: InChIKey=XGTNUCHNESAIMN-BBMGVUBMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133247   
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))
BDBM50133247
PNG
(CHEMBL337522 | Decanedioic acid 4-(2-hydroxymethyl...)
Show SMILES CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C46H56N2O8/c1-27(2)41-43(35(25-49)47-45(41)53)33-21-23-37(31-17-13-11-15-29(31)33)55-39(51)19-9-7-5-6-8-10-20-40(52)56-38-24-22-34(30-16-12-14-18-32(30)38)44-36(26-50)48-46(54)42(44)28(3)4/h11-18,21-24,27-28,35-36,41-44,49-50H,5-10,19-20,25-26H2,1-4H3,(H,47,53)(H,48,54)/t35-,36-,41-,42-,43-,44?/m1/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
208n/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