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BDBM50316454 1-[4-(4,5-Dihydro-1,2,4-(4H)-5-oxo-oxadiazol-3-ylmethyl)benzoyl]-4-octadecyl aminocarbonylpiperazine::CHEMBL1099009

SMILES: CCCCCCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1

InChI Key: InChIKey=YSKCQDPMDDJBEB-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50316454   
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))
BDBM50316454
PNG
(1-[4-(4,5-Dihydro-1,2,4-(4H)-5-oxo-oxadiazol-3-ylm...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
Show InChI InChI=1S/C33H53N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-32(40)38-25-23-37(24-26-38)31(39)29-20-18-28(19-21-29)27-30-35-33(41)42-36-30/h18-21H,2-17,22-27H2,1H3,(H,34,40)(H,35,36,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 330n/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))
BDBM50316454
PNG
(1-[4-(4,5-Dihydro-1,2,4-(4H)-5-oxo-oxadiazol-3-ylm...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
Show InChI InChI=1S/C33H53N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-32(40)38-25-23-37(24-26-38)31(39)29-20-18-28(19-21-29)27-30-35-33(41)42-36-30/h18-21H,2-17,22-27H2,1H3,(H,34,40)(H,35,36,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.45E+4n/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