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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 = 'BDBM50055381'   
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))
BDBM50055381
PNG
((3-Aminooxalyl-1-benzyl-2-cyclopropyl-1H-indol-4-y...)
Show SMILES NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2)c2cccc(OCC(O)=O)c12
Show InChI InChI=1S/C22H20N2O5/c23-22(28)21(27)19-18-15(7-4-8-16(18)29-12-17(25)26)24(20(19)14-9-10-14)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2,(H2,23,28)(H,25,26)
PDB
MMDB

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Article
PubMed
n/an/a 28n/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))
BDBM50055381
PNG
((3-Aminooxalyl-1-benzyl-2-cyclopropyl-1H-indol-4-y...)
Show SMILES NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2)c2cccc(OCC(O)=O)c12
Show InChI InChI=1S/C22H20N2O5/c23-22(28)21(27)19-18-15(7-4-8-16(18)29-12-17(25)26)24(20(19)14-9-10-14)11-13-5-2-1-3-6-13/h1-8,14H,9-12H2,(H2,23,28)(H,25,26)
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 41n/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