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BDBM50093946 4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5-ylmethyl-4H-pyrimidin-1-yl]-N-heptyl-butyramide::CHEMBL82956

SMILES: CCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=IMOUHFRGKOFIDS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50093946   
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))
BDBM50093946
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
Show SMILES CCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C27H34FN5O2S/c1-2-3-4-5-6-13-31-25(34)8-7-14-33-18-23(15-22-16-29-20-30-17-22)26(35)32-27(33)36-19-21-9-11-24(28)12-10-21/h9-12,16-18,20H,2-8,13-15,19H2,1H3,(H,31,34)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2n/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