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BDBM50316456 1-[4-(4,5-Dihydro-1,2,4-(4H)-5-oxo-oxadiazol-3-ylmethyl)benzyl]-4-(4-octadecyl oxyphenyl)piperazine::CHEMBL1099340

SMILES: CCCCCCCCCCCCCCCCCCOc1ccc(cc1)N1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1

InChI Key: InChIKey=MNTJYDDCSYGSSY-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50316456   
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
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50316456
PNG
(1-[4-(4,5-Dihydro-1,2,4-(4H)-5-oxo-oxadiazol-3-ylm...)
Show SMILES CCCCCCCCCCCCCCCCCCOc1ccc(cc1)N1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
Show InChI InChI=1S/C38H58N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-44-36-24-22-35(23-25-36)42-28-26-41(27-29-42)32-34-20-18-33(19-21-34)31-37-39-38(43)45-40-37/h18-25H,2-17,26-32H2,1H3,(H,39,40,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Universit£ Paris Diderot

Curated by ChEMBL


Assay Description
Inhibition of human recombinant group 2A phospholipase A2 by fluorimetric assay


Bioorg Med Chem 18: 3588-600 (2010)


Article DOI: 10.1016/j.bmc.2010.03.049
BindingDB Entry DOI: 10.7270/Q2ZG6SD9
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50316456
PNG
(1-[4-(4,5-Dihydro-1,2,4-(4H)-5-oxo-oxadiazol-3-ylm...)
Show SMILES CCCCCCCCCCCCCCCCCCOc1ccc(cc1)N1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
Show InChI InChI=1S/C38H58N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-44-36-24-22-35(23-25-36)42-28-26-41(27-29-42)32-34-20-18-33(19-21-34)31-37-39-38(43)45-40-37/h18-25H,2-17,26-32H2,1H3,(H,39,40,43)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.41E+3n/an/an/an/an/an/a



Universit£ Paris Diderot

Curated by ChEMBL


Assay Description
Inhibition of porcine group 1B phospholipase A2 by fluorimetric assay


Bioorg Med Chem 18: 3588-600 (2010)


Article DOI: 10.1016/j.bmc.2010.03.049
BindingDB Entry DOI: 10.7270/Q2ZG6SD9
More data for this
Ligand-Target Pair