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BDBM50107491 CHEMBL149644::N-(4'-Chloro-biphenyl-4-ylmethyl)-2-{2-(4-fluoro-benzylsulfanyl)-5-[2-(4-methyl-piperazin-1-yl)-pyrimidin-5-ylmethyl]-4-oxo-4H-pyrimidin-1-yl}-N-methyl-acetamide

SMILES: CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnc(nc2)N2CCN(C)CC2)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=QACJRVCEGDIMHU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107491   
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))
BDBM50107491
PNG
(CHEMBL149644 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnc(nc2)N2CCN(C)CC2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C37H37ClFN7O2S/c1-43-15-17-45(18-16-43)36-40-20-28(21-41-36)19-31-23-46(37(42-35(31)48)49-25-27-5-13-33(39)14-6-27)24-34(47)44(2)22-26-3-7-29(8-4-26)30-9-11-32(38)12-10-30/h3-14,20-21,23H,15-19,22,24-25H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70n/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