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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 = 'BDBM50055375'   
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))
BDBM50055375
PNG
(2-(3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-4-15-19(20(26)21(24)27)18-16(25(15)13-14-9-6-5-7-10-14)11-8-12-17(18)30-23(2,3)22(28)29/h5-12H,4,13H2,1-3H3,(H2,24,27)(H,28,29)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/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))
BDBM50055375
PNG
(2-(3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-4-15-19(20(26)21(24)27)18-16(25(15)13-14-9-6-5-7-10-14)11-8-12-17(18)30-23(2,3)22(28)29/h5-12H,4,13H2,1-3H3,(H2,24,27)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 29n/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