Compile Data Set for Download or QSAR
Found 18 Enz. Inhib. hit(s) with all data for entry = 50034614
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365216(CHEMBL1956070 | ROCHE screening, 76)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human GST-tagged CDK4-cyclin D1 using his-tagged Rb as substrate after 30 mins by scintillation counting methodMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365217(CHEMBL1956069)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N
Show InChI InChI=1S/C24H29N5O2S/c1-16(2)28-11-13-29(14-12-28)19-9-7-18(8-10-19)26-24-27-23(25)22(32-24)21(30)17-5-4-6-20(15-17)31-3/h4-10,15-16H,11-14,25H2,1-3H3,(H,26,27)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human GST-tagged CDK4-cyclin D1 using his-tagged Rb as substrate after 30 mins by scintillation counting methodMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365217(CHEMBL1956069)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N
Show InChI InChI=1S/C24H29N5O2S/c1-16(2)28-11-13-29(14-12-28)19-9-7-18(8-10-19)26-24-27-23(25)22(32-24)21(30)17-5-4-6-20(15-17)31-3/h4-10,15-16H,11-14,25H2,1-3H3,(H,26,27)
Affinity DataIC50: 1.97E+6nMAssay Description:Inhibition of human CDK1-GST-tagged cyclin B using his-tagged Rb as substrate after 30 mins by scintillation counting methodMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365216(CHEMBL1956070 | ROCHE screening, 76)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)
Affinity DataIC50: 2.36E+6nMAssay Description:Inhibition of human CDK2-GST-tagged cyclin E using his-tagged Rb as substrate after 30 mins by scintillation counting methodMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365216(CHEMBL1956070 | ROCHE screening, 76)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)
Affinity DataIC50: 3.04E+6nMAssay Description:Inhibition of human CDK1-GST-tagged cyclin B using his-tagged Rb as substrate after 30 mins by scintillation counting methodMore data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365216(CHEMBL1956070 | ROCHE screening, 76)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)
Affinity DataIC50: 3.21E+6nMAssay Description:Inhibition of Src using fluorescent substrate by IMAP assayMore data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365217(CHEMBL1956069)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N
Show InChI InChI=1S/C24H29N5O2S/c1-16(2)28-11-13-29(14-12-28)19-9-7-18(8-10-19)26-24-27-23(25)22(32-24)21(30)17-5-4-6-20(15-17)31-3/h4-10,15-16H,11-14,25H2,1-3H3,(H,26,27)
Affinity DataIC50: 3.48E+6nMAssay Description:Inhibition of Src using fluorescent substrate by IMAP assayMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365217(CHEMBL1956069)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N
Show InChI InChI=1S/C24H29N5O2S/c1-16(2)28-11-13-29(14-12-28)19-9-7-18(8-10-19)26-24-27-23(25)22(32-24)21(30)17-5-4-6-20(15-17)31-3/h4-10,15-16H,11-14,25H2,1-3H3,(H,26,27)
Affinity DataIC50: 4.14E+6nMAssay Description:Inhibition of human CDK2-GST-tagged cyclin E using his-tagged Rb as substrate after 30 mins by scintillation counting methodMore data for this Ligand-Target Pair
TargetHepatocyte growth factor receptor(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365216(CHEMBL1956070 | ROCHE screening, 76)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)
Affinity DataIC50: 2.00E+7nMAssay Description:Inhibition of c-Met using fluorescent substrate by IMAP assayMore data for this Ligand-Target Pair
TargetHepatocyte growth factor receptor(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365217(CHEMBL1956069)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N
Show InChI InChI=1S/C24H29N5O2S/c1-16(2)28-11-13-29(14-12-28)19-9-7-18(8-10-19)26-24-27-23(25)22(32-24)21(30)17-5-4-6-20(15-17)31-3/h4-10,15-16H,11-14,25H2,1-3H3,(H,26,27)
Affinity DataIC50: 2.00E+7nMAssay Description:Inhibition of c-Met using fluorescent substrate by IMAP assayMore data for this Ligand-Target Pair
TargetInsulin-like growth factor 1 receptor(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365217(CHEMBL1956069)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N
Show InChI InChI=1S/C24H29N5O2S/c1-16(2)28-11-13-29(14-12-28)19-9-7-18(8-10-19)26-24-27-23(25)22(32-24)21(30)17-5-4-6-20(15-17)31-3/h4-10,15-16H,11-14,25H2,1-3H3,(H,26,27)
Affinity DataIC50: 2.00E+7nMAssay Description:Inhibition of IGF1R using fluorescent substrate by IMAP assayMore data for this Ligand-Target Pair
TargetInsulin-like growth factor 1 receptor(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365216(CHEMBL1956070 | ROCHE screening, 76)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)
Affinity DataIC50: 2.20E+7nMAssay Description:Inhibition of IGF1R using fluorescent substrate by IMAP assayMore data for this Ligand-Target Pair
TargetInsulin receptor(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365217(CHEMBL1956069)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N
Show InChI InChI=1S/C24H29N5O2S/c1-16(2)28-11-13-29(14-12-28)19-9-7-18(8-10-19)26-24-27-23(25)22(32-24)21(30)17-5-4-6-20(15-17)31-3/h4-10,15-16H,11-14,25H2,1-3H3,(H,26,27)
Affinity DataIC50: 2.40E+7nMAssay Description:Inhibition of insulin receptor using fluorescent substrate by IMAP assayMore data for this Ligand-Target Pair
TargetInsulin receptor(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365216(CHEMBL1956070 | ROCHE screening, 76)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)
Affinity DataIC50: 7.10E+7nMAssay Description:Inhibition of insulin receptor using fluorescent substrate by IMAP assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365216(CHEMBL1956070 | ROCHE screening, 76)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)
Affinity DataIC50: 1.00E+8nMAssay Description:Inhibition of Lck using fluorescent substrate by IMAP assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365217(CHEMBL1956069)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N
Show InChI InChI=1S/C24H29N5O2S/c1-16(2)28-11-13-29(14-12-28)19-9-7-18(8-10-19)26-24-27-23(25)22(32-24)21(30)17-5-4-6-20(15-17)31-3/h4-10,15-16H,11-14,25H2,1-3H3,(H,26,27)
Affinity DataIC50: 1.00E+8nMAssay Description:Inhibition of Lck using fluorescent substrate by IMAP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365216(CHEMBL1956070 | ROCHE screening, 76)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)
Affinity DataIC50: 1.00E+8nMAssay Description:Inhibition of ERK1 using fluorescent substrate by IMAP assayMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
University of Queensland

Curated by ChEMBL
LigandPNGBDBM50365217(CHEMBL1956069)
Show SMILES COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N
Show InChI InChI=1S/C24H29N5O2S/c1-16(2)28-11-13-29(14-12-28)19-9-7-18(8-10-19)26-24-27-23(25)22(32-24)21(30)17-5-4-6-20(15-17)31-3/h4-10,15-16H,11-14,25H2,1-3H3,(H,26,27)
Affinity DataIC50: 1.00E+8nMAssay Description:Inhibition of ERK1 using fluorescent substrate by IMAP assayMore data for this Ligand-Target Pair