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BDBM50161308 CHEMBL179118::[3-Aminooxalyl-1-(2-fluoro-benzyl)-2-methyl-1,2,3,6,7,8-hexahydro-1-aza-as-indacen-4-yloxy]-acetic acid

SMILES: Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCc3c2n1Cc1ccccc1F

InChI Key: InChIKey=QDOYKUBOULWYOE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50161308   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50161308
PNG
(CHEMBL179118 | [3-Aminooxalyl-1-(2-fluoro-benzyl)-...)
Show SMILES Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCc3c2n1Cc1ccccc1F
Show InChI InChI=1S/C23H21FN2O5/c1-12-19(22(29)23(25)30)20-17(31-11-18(27)28)9-13-6-4-7-15(13)21(20)26(12)10-14-5-2-3-8-16(14)24/h2-3,5,8-9H,4,6-7,10-11H2,1H3,(H2,25,30)(H,27,28)
PDB
MMDB

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Reactome pathway
KEGG

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Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human nonpancreatic secretory phospholipase A2


J Med Chem 48: 893-6 (2005)


Article DOI: 10.1021/jm0401309
BindingDB Entry DOI: 10.7270/Q20001M3
More data for this
Ligand-Target Pair