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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Group IID secretory phospholipase A2' and Ligand = 'BDBM50263002'   
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
Group IID secretory phospholipase A2


(Homo sapiens (Human))
BDBM50263002
PNG
((2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-6,7-benz...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C25H22N2O5/c1-2-18-21(24(30)25(26)31)22-19(32-14-20(28)29)12-16-10-6-7-11-17(16)23(22)27(18)13-15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3,(H2,26,31)(H,28,29)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2D phospholipase A2 by [3H]oleic acid-labeled Escherichia coli membrane assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair
Group IID secretory phospholipase A2


(Mus musculus)
BDBM50263002
PNG
((2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-6,7-benz...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C25H22N2O5/c1-2-18-21(24(30)25(26)31)22-19(32-14-20(28)29)12-16-10-6-7-11-17(16)23(22)27(18)13-15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3,(H2,26,31)(H,28,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2D phospholipase A2 fluorimetric assay


J Med Chem 51: 4708-14 (2008)


Article DOI: 10.1021/jm800422v
BindingDB Entry DOI: 10.7270/Q2571BSD
More data for this
Ligand-Target Pair