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BDBM50093916 CHEMBL85885::N-Dodecyl-2-[2-(4-fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5-ylmethyl-4H-pyrimidin-1-yl]-acetamide

SMILES: CCCCCCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=PPHZFLKGDQKJKH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50093916   
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
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093916
PNG
(CHEMBL85885 | N-Dodecyl-2-[2-(4-fluoro-benzylsulfa...)
Show SMILES CCCCCCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C30H40FN5O2S/c1-2-3-4-5-6-7-8-9-10-11-16-34-28(37)21-36-20-26(17-25-18-32-23-33-19-25)29(38)35-30(36)39-22-24-12-14-27(31)15-13-24/h12-15,18-20,23H,2-11,16-17,21-22H2,1H3,(H,34,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.300n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair