Compile Data Set for Download or QSAR
Found 5 Enz. Inhib. hit(s) for PDB: 4AA4
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50384385(CHEMBL2031238)
Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccoc4)ccc3C)c(=O)c2c1
Show InChI InChI=1S/C25H25N5O3/c1-17-3-4-19(27-24(31)18-7-12-33-15-18)13-23(17)30-16-26-22-6-5-20(14-21(22)25(30)32)29-10-8-28(2)9-11-29/h3-7,12-16H,8-11H2,1-2H3,(H,27,31)
Affinity DataIC50: 8.91nMAssay Description:Inhibition of p38alpha kinaseMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50384385(CHEMBL2031238)
Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccoc4)ccc3C)c(=O)c2c1
Show InChI InChI=1S/C25H25N5O3/c1-17-3-4-19(27-24(31)18-7-12-33-15-18)13-23(17)30-16-26-22-6-5-20(14-21(22)25(30)32)29-10-8-28(2)9-11-29/h3-7,12-16H,8-11H2,1-2H3,(H,27,31)
Affinity DataIC50: 9nMAssay Description:Inhibition of p38alpha kinaseMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50384385(CHEMBL2031238)
Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccoc4)ccc3C)c(=O)c2c1
Show InChI InChI=1S/C25H25N5O3/c1-17-3-4-19(27-24(31)18-7-12-33-15-18)13-23(17)30-16-26-22-6-5-20(14-21(22)25(30)32)29-10-8-28(2)9-11-29/h3-7,12-16H,8-11H2,1-2H3,(H,27,31)
Affinity DataIC50: 15.8nMAssay Description:Inhibition of p38alpha-mediated TNFalpha secretion in LPS-stimulated human whole blood assessed as IC50 equals to free drug concentration at human wh...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50384385(CHEMBL2031238)
Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccoc4)ccc3C)c(=O)c2c1
Show InChI InChI=1S/C25H25N5O3/c1-17-3-4-19(27-24(31)18-7-12-33-15-18)13-23(17)30-16-26-22-6-5-20(14-21(22)25(30)32)29-10-8-28(2)9-11-29/h3-7,12-16H,8-11H2,1-2H3,(H,27,31)
Affinity DataIC50: 110nMAssay Description:Inhibition of p38alpha-mediated TNFalpha secretion in LPS-stimulated human whole bloodMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50384385(CHEMBL2031238)
Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccoc4)ccc3C)c(=O)c2c1
Show InChI InChI=1S/C25H25N5O3/c1-17-3-4-19(27-24(31)18-7-12-33-15-18)13-23(17)30-16-26-22-6-5-20(14-21(22)25(30)32)29-10-8-28(2)9-11-29/h3-7,12-16H,8-11H2,1-2H3,(H,27,31)
Affinity DataIC50: 112nMAssay Description:Inhibition of p38alpha-mediated TNFalpha secretion in LPS-stimulated human whole bloodMore data for this Ligand-Target Pair