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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2' and Ligand = 'BDBM50053114'   
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


(Homo sapiens (Human))
BDBM50053114
PNG
((1-Aminooxalyl-3-biphenyl-3-ylmethyl-2-ethyl-indol...)
Show SMILES CCc1c(Cc2cccc(c2)-c2ccccc2)n2cccc(OCC(=O)OC)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C28H26N2O5/c1-3-21-22(16-18-9-7-12-20(15-18)19-10-5-4-6-11-19)30-14-8-13-23(35-17-24(31)34-2)26(30)25(21)27(32)28(29)33/h4-15H,3,16-17H2,1-2H3,(H2,29,33)
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PC cid
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Article
PubMed
n/an/a 4.20n/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))
BDBM50053114
PNG
((1-Aminooxalyl-3-biphenyl-3-ylmethyl-2-ethyl-indol...)
Show SMILES CCc1c(Cc2cccc(c2)-c2ccccc2)n2cccc(OCC(=O)OC)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C28H26N2O5/c1-3-21-22(16-18-9-7-12-20(15-18)19-10-5-4-6-11-19)30-14-8-13-23(35-17-24(31)34-2)26(30)25(21)27(32)28(29)33/h4-15H,3,16-17H2,1-2H3,(H2,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9n/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