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BDBM50107511 CHEMBL152705::N-Biphenyl-4-ylmethyl-4-[2-(4-fluoro-benzylsulfanyl)-5-(2-methoxy-pyrimidin-5-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-butyramide

SMILES: COc1ncc(Cc2cn(CCCC(=O)NCc3ccc(cc3)-c3ccccc3)c(SCc3ccc(F)cc3)nc2=O)cn1

InChI Key: InChIKey=KILCPPQTIKAOIC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107511   
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))
BDBM50107511
PNG
(CHEMBL152705 | N-Biphenyl-4-ylmethyl-4-[2-(4-fluor...)
Show SMILES COc1ncc(Cc2cn(CCCC(=O)NCc3ccc(cc3)-c3ccccc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C34H32FN5O3S/c1-43-33-37-20-26(21-38-33)18-29-22-40(34(39-32(29)42)44-23-25-11-15-30(35)16-12-25)17-5-8-31(41)36-19-24-9-13-28(14-10-24)27-6-3-2-4-7-27/h2-4,6-7,9-16,20-22H,5,8,17-19,23H2,1H3,(H,36,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair