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BDBM50107496 CHEMBL328023::N-(4'-Chloro-biphenyl-4-ylmethyl)-2-[2-(4-fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyrazol-4-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-N-methyl-acetamide

SMILES: CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=MHBVTNGVNOHGCK-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50107496   
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))
BDBM50107496
PNG
(CHEMBL328023 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C32H29ClFN5O2S/c1-37(17-22-3-7-25(8-4-22)26-9-11-28(33)12-10-26)30(40)20-39-19-27(15-24-16-35-38(2)18-24)31(41)36-32(39)42-21-23-5-13-29(34)14-6-23/h3-14,16,18-19H,15,17,20-21H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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n/an/a 1n/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))
BDBM50107496
PNG
(CHEMBL328023 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C32H29ClFN5O2S/c1-37(17-22-3-7-25(8-4-22)26-9-11-28(33)12-10-26)30(40)20-39-19-27(15-24-16-35-38(2)18-24)31(41)36-32(39)42-21-23-5-13-29(34)14-6-23/h3-14,16,18-19H,15,17,20-21H2,1-2H3
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 1n/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