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BDBM50133241 CHEMBL339383::Octanedioic 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)CCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12

InChI Key: InChIKey=XRTLJGYINIGJQB-NWTXVDQXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133241   
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))
BDBM50133241
PNG
(CHEMBL339383 | Octanedioic acid 4-(2-hydroxymethyl...)
Show SMILES CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C44H52N2O8/c1-25(2)39-41(33(23-47)45-43(39)51)31-19-21-35(29-15-11-9-13-27(29)31)53-37(49)17-7-5-6-8-18-38(50)54-36-22-20-32(28-14-10-12-16-30(28)36)42-34(24-48)46-44(52)40(42)26(3)4/h9-16,19-22,25-26,33-34,39-42,47-48H,5-8,17-18,23-24H2,1-4H3,(H,45,51)(H,46,52)/t33-,34-,39-,40-,41-,42?/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
174n/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