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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 = 'BDBM50055401'   
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))
BDBM50055401
PNG
((3-Aminooxalyl-1-biphenyl-2-ylmethyl-2-ethyl-1H-in...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H24N2O5/c1-2-20-25(26(32)27(28)33)24-21(13-8-14-22(24)34-16-23(30)31)29(20)15-18-11-6-7-12-19(18)17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H2,28,33)(H,30,31)
PDB
MMDB

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Article
PubMed
n/an/a 6n/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))
BDBM50055401
PNG
((3-Aminooxalyl-1-biphenyl-2-ylmethyl-2-ethyl-1H-in...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H24N2O5/c1-2-20-25(26(32)27(28)33)24-21(13-8-14-22(24)34-16-23(30)31)29(20)15-18-11-6-7-12-19(18)17-9-4-3-5-10-17/h3-14H,2,15-16H2,1H3,(H2,28,33)(H,30,31)
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 6n/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