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BDBM50110879 4-{2-Oxo-3-[4-(5-phenyl-pentyloxy)-phenoxy]-propoxy}-benzoic acid::CHEMBL30130

SMILES: OC(=O)c1ccc(OCC(=O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1

InChI Key: InChIKey=LCBOXDJCUOUJBM-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50110879   
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 1VB


(Homo sapiens (Human))
BDBM50110879
PNG
(4-{2-Oxo-3-[4-(5-phenyl-pentyloxy)-phenoxy]-propox...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28O6/c28-23(19-32-25-12-10-22(11-13-25)27(29)30)20-33-26-16-14-24(15-17-26)31-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 48n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens (Human))
BDBM50110879
PNG
(4-{2-Oxo-3-[4-(5-phenyl-pentyloxy)-phenoxy]-propox...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28O6/c28-23(19-32-25-12-10-22(11-13-25)27(29)30)20-33-26-16-14-24(15-17-26)31-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 460n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay


J Med Chem 45: 1348-62 (2002)


BindingDB Entry DOI: 10.7270/Q2F76BVP
More data for this
Ligand-Target Pair