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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 = 'BDBM50161296'   
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))
BDBM50161296
PNG
((3-Aminooxalyl-1-benzyl-2-ethyl-2,3,6,7,8,9-hexahy...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCCc3c2n1Cc1ccccc1
Show InChI InChI=1S/C25H26N2O5/c1-2-18-21(24(30)25(26)31)22-19(32-14-20(28)29)12-16-10-6-7-11-17(16)23(22)27(18)13-15-8-4-3-5-9-15/h3-5,8-9,12H,2,6-7,10-11,13-14H2,1H3,(H2,26,31)(H,28,29)
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Article
PubMed
n/an/a 11n/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
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50161296
PNG
((3-Aminooxalyl-1-benzyl-2-ethyl-2,3,6,7,8,9-hexahy...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3CCCCc3c2n1Cc1ccccc1
Show InChI InChI=1S/C25H26N2O5/c1-2-18-21(24(30)25(26)31)22-19(32-14-20(28)29)12-16-10-6-7-11-17(16)23(22)27(18)13-15-8-4-3-5-9-15/h3-5,8-9,12H,2,6-7,10-11,13-14H2,1H3,(H2,26,31)(H,28,29)
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 17n/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