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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2' and Ligand = 'BDBM50053133'   
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
Phospholipase A2


(Homo sapiens (Human))
BDBM50053133
PNG
((1-Aminooxalyl-3-benzyl-2-ethyl-indolizin-8-yloxy)...)
Show SMILES CCc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C21H20N2O5/c1-2-14-15(11-13-7-4-3-5-8-13)23-10-6-9-16(28-12-17(24)25)19(23)18(14)20(26)21(22)27/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053133
PNG
((1-Aminooxalyl-3-benzyl-2-ethyl-indolizin-8-yloxy)...)
Show SMILES CCc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C21H20N2O5/c1-2-14-15(11-13-7-4-3-5-8-13)23-10-6-9-16(28-12-17(24)25)19(23)18(14)20(26)21(22)27/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair