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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 = 'BDBM50161305'   
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))
BDBM50161305
PNG
((3-Aminooxalyl-1-cyclohexylmethyl-2-methyl-2,3-dih...)
Show SMILES Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3ccccc3c2n1CC1CCCCC1
Show InChI InChI=1S/C24H26N2O5/c1-14-20(23(29)24(25)30)21-18(31-13-19(27)28)11-16-9-5-6-10-17(16)22(21)26(14)12-15-7-3-2-4-8-15/h5-6,9-11,15H,2-4,7-8,12-13H2,1H3,(H2,25,30)(H,27,28)
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MMDB

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Article
PubMed
n/an/a 4n/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))
BDBM50161305
PNG
((3-Aminooxalyl-1-cyclohexylmethyl-2-methyl-2,3-dih...)
Show SMILES Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3ccccc3c2n1CC1CCCCC1
Show InChI InChI=1S/C24H26N2O5/c1-14-20(23(29)24(25)30)21-18(31-13-19(27)28)11-16-9-5-6-10-17(16)22(21)26(14)12-15-7-3-2-4-8-15/h5-6,9-11,15H,2-4,7-8,12-13H2,1H3,(H2,25,30)(H,27,28)
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 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