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BDBM50107507 CHEMBL358483::N-(4'-Chloro-biphenyl-4-ylmethyl)-2-[2-(4-fluoro-benzylsulfanyl)-5-(2-methoxy-pyrimidin-5-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-acetamide

SMILES: COc1ncc(Cc2cn(CC(=O)NCc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1

InChI Key: InChIKey=MSZVSFYRKHNHLP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107507   
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))
BDBM50107507
PNG
(CHEMBL358483 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES COc1ncc(Cc2cn(CC(=O)NCc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C32H27ClFN5O3S/c1-42-31-36-16-23(17-37-31)14-26-18-39(32(38-30(26)41)43-20-22-4-12-28(34)13-5-22)19-29(40)35-15-21-2-6-24(7-3-21)25-8-10-27(33)11-9-25/h2-13,16-18H,14-15,19-20H2,1H3,(H,35,40)
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 0.5n/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