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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2, major isoenzyme' and Ligand = 'BDBM50055287'   
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, major isoenzyme


(Sus scrofa (pig))
BDBM50055287
PNG
(4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-4-...)
Show SMILES Cc1c(CC(N)=O)c2c(OCCCC(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H24N2O4/c1-15-17(13-20(23)25)22-18(24(15)14-16-7-3-2-4-8-16)9-5-10-19(22)28-12-6-11-21(26)27/h2-5,7-10H,6,11-14H2,1H3,(H2,23,25)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 610n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against porcine pancreatic PLA2


J Med Chem 39: 5137-58 (1997)


Article DOI: 10.1021/jm960486n
BindingDB Entry DOI: 10.7270/Q2639NV0
More data for this
Ligand-Target Pair
Phospholipase A2, major isoenzyme


(Sus scrofa (pig))
BDBM50055287
PNG
(4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-4-...)
Show SMILES Cc1c(CC(N)=O)c2c(OCCCC(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H24N2O4/c1-15-17(13-20(23)25)22-18(24(15)14-16-7-3-2-4-8-16)9-5-10-19(22)28-12-6-11-21(26)27/h2-5,7-10H,6,11-14H2,1H3,(H2,23,25)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.66E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against human pancreatic PLA2


J Med Chem 39: 5137-58 (1997)


Article DOI: 10.1021/jm960486n
BindingDB Entry DOI: 10.7270/Q2639NV0
More data for this
Ligand-Target Pair