Compile Data Set for Download or QSAR
Found 7 Enz. Inhib. hit(s) for PDB: 4EJN
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

Curated by ChEMBL
LigandPNGBDBM50397798(CHEMBL2177836)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)
Affinity DataIC50: 5nMAssay Description:Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assayMore data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

Curated by ChEMBL
LigandPNGBDBM50397798(CHEMBL2177836)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)
Affinity DataIC50: 27nMAssay Description:Inhibition of Akt1 in human A2780 cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysisMore data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

Curated by ChEMBL
LigandPNGBDBM50397798(CHEMBL2177836)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)
Affinity DataIC50: 32nMAssay Description:Inhibition of Akt 1 in human A2780 cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysisMore data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

Curated by ChEMBL
LigandPNGBDBM50397798(CHEMBL2177836)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)
Affinity DataIC50: 44nMAssay Description:Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysisMore data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

Curated by ChEMBL
LigandPNGBDBM50397798(CHEMBL2177836)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)
Affinity DataIC50: 45nMAssay Description:Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysisMore data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

Curated by ChEMBL
LigandPNGBDBM50397798(CHEMBL2177836)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)
Affinity DataIC50: 220nMAssay Description:Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysisMore data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

Curated by ChEMBL
LigandPNGBDBM50397798(CHEMBL2177836)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)
Affinity DataIC50: 250nMAssay Description:Inhibition of Akt1 in human A2780 cells assessed as phosphorylation PRAS40 at T246 after 2 hrs by Western Blot analysisMore data for this Ligand-Target Pair