Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) for PDB: 1DB4
TargetPhospholipase A2, membrane associated(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM50055341(CHEMBL149502 | [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
Affinity DataIC50: 57nMAssay Description:Inhibition of human non-pancreatic secretory phospholipase A2 (PLA2) in a chromogenic assayMore data for this Ligand-Target Pair
TargetPhospholipase A2, membrane associated(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM50055341(CHEMBL149502 | [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibitory activity against porcine pancreatic Phospholipase A2More data for this Ligand-Target Pair
TargetPhospholipase A2, membrane associated(Homo sapiens (Human))
Eli Lilly and Company

Curated by ChEMBL
LigandPNGBDBM50055341(CHEMBL149502 | [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-ME...)
Show SMILES Cc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
Affinity DataIC50: 6.70E+4nMAssay Description:Inhibitory activity against human pancreatic Phospholipase A2More data for this Ligand-Target Pair