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BDBM50133242 CHEMBL448101::Hexanedioic 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)CCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12

InChI Key: InChIKey=LGELJXUVDVTWOW-NCJXOBBSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133242   
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))
BDBM50133242
PNG
(CHEMBL448101 | Hexanedioic acid 4-(2-hydroxymethyl...)
Show SMILES CC(C)[C@@H]1C([C@@H](CO)NC1=O)c1ccc(OC(=O)CCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C42H48N2O8/c1-23(2)37-39(31(21-45)43-41(37)49)29-17-19-33(27-13-7-5-11-25(27)29)51-35(47)15-9-10-16-36(48)52-34-20-18-30(26-12-6-8-14-28(26)34)40-32(22-46)44-42(50)38(40)24(3)4/h5-8,11-14,17-20,23-24,31-32,37-40,45-46H,9-10,15-16,21-22H2,1-4H3,(H,43,49)(H,44,50)/t31-,32-,37-,38-,39-,40?/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
278n/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