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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2' and Ligand = 'BDBM50053123'   
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))
BDBM50053123
PNG
((1-Aminooxalyl-2-ethyl-3-naphthalen-1-ylmethyl-ind...)
Show SMILES CCc1c(Cc2cccc3ccccc23)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C25H22N2O5/c1-2-17-19(13-16-9-5-8-15-7-3-4-10-18(15)16)27-12-6-11-20(32-14-21(28)29)23(27)22(17)24(30)25(26)31/h3-12H,2,13-14H2,1H3,(H2,26,31)(H,28,29)
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Article
PubMed
n/an/a 5n/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
Phospholipase A2


(Homo sapiens (Human))
BDBM50053123
PNG
((1-Aminooxalyl-2-ethyl-3-naphthalen-1-ylmethyl-ind...)
Show SMILES CCc1c(Cc2cccc3ccccc23)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C25H22N2O5/c1-2-17-19(13-16-9-5-8-15-7-3-4-10-18(15)16)27-12-6-11-20(32-14-21(28)29)23(27)22(17)24(30)25(26)31/h3-12H,2,13-14H2,1H3,(H2,26,31)(H,28,29)
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 24n/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