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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Group IIE secretory phospholipase A2' and Ligand = 'BDBM50263003'   
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 IIE secretory phospholipase A2


(Homo sapiens (Human))
BDBM50263003
PNG
(2-(2-ethyl-3-(o-phenylbenzyl)-8-(2-oxopropoxy)indo...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC)cc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C24H22N2O3/c1-3-18-20(23(27)24(25)28)21-19(29-2)13-16-11-7-8-12-17(16)22(21)26(18)14-15-9-5-4-6-10-15/h4-13H,3,14H2,1-2H3,(H2,25,28)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2E 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
Group IIE secretory phospholipase A2


(Mus musculus)
BDBM50263003
PNG
(2-(2-ethyl-3-(o-phenylbenzyl)-8-(2-oxopropoxy)indo...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC)cc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C24H22N2O3/c1-3-18-20(23(27)24(25)28)21-19(29-2)13-16-11-7-8-12-17(16)22(21)26(18)14-15-9-5-4-6-10-15/h4-13H,3,14H2,1-2H3,(H2,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2E 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