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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2, membrane associated' and Ligand = 'BDBM50055291'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50055291
PNG
(4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H24N2O4/c1-15-18(13-21(23)25)19-12-17(28-11-5-8-22(26)27)9-10-20(19)24(15)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H2,23,25)(H,26,27)
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n/an/a 152n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human non-pancreatic secretory phospholipase A2 (PLA2) in a chromogenic assay


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
3D
3D Structure (crystal)
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50055291
PNG
(4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H24N2O4/c1-15-18(13-21(23)25)19-12-17(28-11-5-8-22(26)27)9-10-20(19)24(15)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H2,23,25)(H,26,27)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic Phospholipase A2


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
3D
3D Structure (crystal)
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50055291
PNG
(4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCC(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H24N2O4/c1-15-18(13-21(23)25)19-12-17(28-11-5-8-22(26)27)9-10-20(19)24(15)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H2,23,25)(H,26,27)
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PubMed
n/an/a 6.90E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human pancreatic Phospholipase A2


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
3D
3D Structure (crystal)