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BDBM50053108 (1-Aminooxalyl-3-benzyl-2-methyl-indolizin-8-yloxy)-acetic acid::CHEMBL332547

SMILES: Cc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O

InChI Key: InChIKey=UPHMEATXQMWLLU-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50053108   
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


(Homo sapiens (Human))
BDBM50053108
PNG
((1-Aminooxalyl-3-benzyl-2-methyl-indolizin-8-yloxy...)
Show SMILES Cc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C20H18N2O5/c1-12-14(10-13-6-3-2-4-7-13)22-9-5-8-15(27-11-16(23)24)18(22)17(12)19(25)20(21)26/h2-9H,10-11H2,1H3,(H2,21,26)(H,23,24)
PDB
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Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053108
PNG
((1-Aminooxalyl-3-benzyl-2-methyl-indolizin-8-yloxy...)
Show SMILES Cc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C20H18N2O5/c1-12-14(10-13-6-3-2-4-7-13)22-9-5-8-15(27-11-16(23)24)18(22)17(12)19(25)20(21)26/h2-9H,10-11H2,1H3,(H2,21,26)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair