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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2' and Ligand = 'BDBM50053143'   
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))
BDBM50053143
PNG
(CHEMBL123394 | [1-Aminooxalyl-2-ethyl-3-(2-methyl-...)
Show SMILES CCCC(C)Cc1c(CC)c(C(=O)C(N)=O)c2c(OCC(O)=O)cccn12
Show InChI InChI=1S/C20H26N2O5/c1-4-7-12(3)10-14-13(5-2)17(19(25)20(21)26)18-15(27-11-16(23)24)8-6-9-22(14)18/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H2,21,26)(H,23,24)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 17n/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))
BDBM50053143
PNG
(CHEMBL123394 | [1-Aminooxalyl-2-ethyl-3-(2-methyl-...)
Show SMILES CCCC(C)Cc1c(CC)c(C(=O)C(N)=O)c2c(OCC(O)=O)cccn12
Show InChI InChI=1S/C20H26N2O5/c1-4-7-12(3)10-14-13(5-2)17(19(25)20(21)26)18-15(27-11-16(23)24)8-6-9-22(14)18/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H2,21,26)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 78n/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