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BDBM50107505 CHEMBL79555::N-(4'-Chloro-biphenyl-4-ylmethyl)-2-[2-(4-fluoro-benzylsulfanyl)-5-(2-methoxy-pyrimidin-5-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-N-methyl-acetamide

SMILES: COc1ncc(Cc2cn(CC(=O)N(C)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1

InChI Key: InChIKey=VBEOQYLHPYNHMD-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50107505   
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))
BDBM50107505
PNG
(CHEMBL79555 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2-...)
Show SMILES COc1ncc(Cc2cn(CC(=O)N(C)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C33H29ClFN5O3S/c1-39(18-22-3-7-25(8-4-22)26-9-11-28(34)12-10-26)30(41)20-40-19-27(15-24-16-36-32(43-2)37-17-24)31(42)38-33(40)44-21-23-5-13-29(35)14-6-23/h3-14,16-17,19H,15,18,20-21H2,1-2H3
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 0.200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated


Bioorg Med Chem Lett 12: 2603-6 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PNN
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107505
PNG
(CHEMBL79555 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2-...)
Show SMILES COc1ncc(Cc2cn(CC(=O)N(C)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C33H29ClFN5O3S/c1-39(18-22-3-7-25(8-4-22)26-9-11-28(34)12-10-26)30(41)20-40-19-27(15-24-16-36-32(43-2)37-17-24)31(42)38-33(40)44-21-23-5-13-29(35)14-6-23/h3-14,16-17,19H,15,18,20-21H2,1-2H3
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 0.200n/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