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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2, membrane associated' and Ligand = 'BDBM50055373'   
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, membrane associated


(Homo sapiens (Human))
BDBM50055373
PNG
(CHEMBL148452 | [3-Aminooxalyl-1-(4-fluoro-benzyl)-...)
Show SMILES Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C20H17FN2O5/c1-11-17(19(26)20(22)27)18-14(3-2-4-15(18)28-10-16(24)25)23(11)9-12-5-7-13(21)8-6-12/h2-8H,9-10H2,1H3,(H2,22,27)(H,24,25)
PDB
MMDB

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Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human nonpancreatic secretory Phospholipase A2 through chromogenic assay


J Med Chem 39: 5159-75 (1997)


Article DOI: 10.1021/jm960487f
BindingDB Entry DOI: 10.7270/Q22B8X54
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50055373
PNG
(CHEMBL148452 | [3-Aminooxalyl-1-(4-fluoro-benzyl)-...)
Show SMILES Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C20H17FN2O5/c1-11-17(19(26)20(22)27)18-14(3-2-4-15(18)28-10-16(24)25)23(11)9-12-5-7-13(21)8-6-12/h2-8H,9-10H2,1H3,(H2,22,27)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human nonpancreatic secretory Phospholipase A2 through DOC/PC assay


J Med Chem 39: 5159-75 (1997)


Article DOI: 10.1021/jm960487f
BindingDB Entry DOI: 10.7270/Q22B8X54
More data for this
Ligand-Target Pair