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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'LDL-associated phospholipase A2' and Ligand = 'BDBM50107504'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107504
PNG
(CHEMBL154817 | N-(4'-Chloro-biphenyl-4-ylmethyl)-4...)
Show SMILES COc1ncc(Cc2cn(CCCC(=O)NCc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C34H31ClFN5O3S/c1-44-33-38-19-25(20-39-33)17-28-21-41(34(40-32(28)43)45-22-24-6-14-30(36)15-7-24)16-2-3-31(42)37-18-23-4-8-26(9-5-23)27-10-12-29(35)13-11-27/h4-15,19-21H,2-3,16-18,22H2,1H3,(H,37,42)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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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