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BDBM50206912 (+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol-3-yl)phenyl]-1-O-(4-phenylbutyl)-2-Otetradecylglycerol::CHEMBL353623

SMILES: CCCCCCCCCCCCCCOC(COCCCCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1

InChI Key: InChIKey=ABMZPRJSVFWQHA-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50206912   
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 group V


(Homo sapiens (Human))
BDBM50206912
PNG
((+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol...)
Show SMILES CCCCCCCCCCCCCCOC(COCCCCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C35H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-27-40-33(28-39-26-18-16-21-30-19-14-13-15-20-30)29-41-32-24-22-31(23-25-32)34-36-35(38)42-37-34/h13-15,19-20,22-25,33H,2-12,16-18,21,26-29H2,1H3,(H,36,37,38)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group V PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay


J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50206912
PNG
((+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol...)
Show SMILES CCCCCCCCCCCCCCOC(COCCCCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C35H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-27-40-33(28-39-26-18-16-21-30-19-14-13-15-20-30)29-41-32-24-22-31(23-25-32)34-36-35(38)42-37-34/h13-15,19-20,22-25,33H,2-12,16-18,21,26-29H2,1H3,(H,36,37,38)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group IIA PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay


J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50206912
PNG
((+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol...)
Show SMILES CCCCCCCCCCCCCCOC(COCCCCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C35H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-27-40-33(28-39-26-18-16-21-30-19-14-13-15-20-30)29-41-32-24-22-31(23-25-32)34-36-35(38)42-37-34/h13-15,19-20,22-25,33H,2-12,16-18,21,26-29H2,1H3,(H,36,37,38)
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n/an/a 290n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group IIA PLA2 by fluorimetric assay


J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50206912
PNG
((+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol...)
Show SMILES CCCCCCCCCCCCCCOC(COCCCCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C35H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-27-40-33(28-39-26-18-16-21-30-19-14-13-15-20-30)29-41-32-24-22-31(23-25-32)34-36-35(38)42-37-34/h13-15,19-20,22-25,33H,2-12,16-18,21,26-29H2,1H3,(H,36,37,38)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group IB PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay


J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50206912
PNG
((+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol...)
Show SMILES CCCCCCCCCCCCCCOC(COCCCCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C35H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-27-40-33(28-39-26-18-16-21-30-19-14-13-15-20-30)29-41-32-24-22-31(23-25-32)34-36-35(38)42-37-34/h13-15,19-20,22-25,33H,2-12,16-18,21,26-29H2,1H3,(H,36,37,38)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of pig group IB PLA2 by fluorimetric assay


J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair
Group 10 secretory phospholipase A2


(Homo sapiens (Human))
BDBM50206912
PNG
((+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol...)
Show SMILES CCCCCCCCCCCCCCOC(COCCCCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C35H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-27-40-33(28-39-26-18-16-21-30-19-14-13-15-20-30)29-41-32-24-22-31(23-25-32)34-36-35(38)42-37-34/h13-15,19-20,22-25,33H,2-12,16-18,21,26-29H2,1H3,(H,36,37,38)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group X PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay


J Med Chem 50: 1618-26 (2007)


Article DOI: 10.1021/jm060082n
BindingDB Entry DOI: 10.7270/Q2TQ6174
More data for this
Ligand-Target Pair