Compile Data Set for Download or QSAR
Found 11 Enz. Inhib. hit(s) with all data for entry = 50002812
TargetCellular tumor antigen p53(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50463350(CHEMBL4243580)
Show SMILES O=S(=O)(N1CCCc2ccccc12)c1ccc(cc1)-n1cncn1
Show InChI InChI=1S/C17H16N4O2S/c22-24(23,21-11-3-5-14-4-1-2-6-17(14)21)16-9-7-15(8-10-16)20-13-18-12-19-20/h1-2,4,6-10,12-13H,3,5,11H2
Affinity DataEC50: >5.00E+3nMAssay Description:Induction of p53 transcriptional activity (unknown origin) expressed in HEK293 cells coexpressing TK-driven Rluc after 20 to 22 hrs by luciferase rep...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCellular tumor antigen p53(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50463351(CHEMBL4240212)
Show SMILES O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C19H20N2O3S/c22-19-8-4-13-20(19)16-9-11-17(12-10-16)25(23,24)21-14-3-6-15-5-1-2-7-18(15)21/h1-2,5,7,9-12H,3-4,6,8,13-14H2
Affinity DataEC50:  12nMAssay Description:Induction of p53 transcriptional activity (unknown origin) expressed in HEK293 cells coexpressing TK-driven Rluc after 20 to 22 hrs by luciferase rep...More data for this Ligand-Target Pair
TargetCellular tumor antigen p53(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50463352(CHEMBL4238053)
Show SMILES COc1ccc2N(CCN(C)c2c1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C20H23N3O4S/c1-21-12-13-23(18-10-7-16(27-2)14-19(18)21)28(25,26)17-8-5-15(6-9-17)22-11-3-4-20(22)24/h5-10,14H,3-4,11-13H2,1-2H3
Affinity DataEC50:  4nMAssay Description:Induction of p53 transcriptional activity (unknown origin) expressed in HEK293 cells coexpressing TK-driven Rluc after 20 to 22 hrs by luciferase rep...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCellular tumor antigen p53(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50463353(CHEMBL4248974)
Show SMILES CN1CCN(c2ccccc12)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C19H21N3O3S/c1-20-13-14-22(18-6-3-2-5-17(18)20)26(24,25)16-10-8-15(9-11-16)21-12-4-7-19(21)23/h2-3,5-6,8-11H,4,7,12-14H2,1H3
Affinity DataEC50:  18nMAssay Description:Activation of p53 in human MCF7 cell lysates assessed as increase in total p53 protein level by Western blot analysisMore data for this Ligand-Target Pair
TargetCellular tumor antigen p53(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50463354(CHEMBL4246320)
Show SMILES Cc1ccc2N(CCCc2c1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C20H22N2O3S/c1-15-6-11-19-16(14-15)4-2-13-22(19)26(24,25)18-9-7-17(8-10-18)21-12-3-5-20(21)23/h6-11,14H,2-5,12-13H2,1H3
Affinity DataEC50:  4nMAssay Description:Induction of p53 transcriptional activity (unknown origin) expressed in HEK293 cells coexpressing TK-driven Rluc after 20 to 22 hrs by luciferase rep...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCellular tumor antigen p53(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50463359(CHEMBL4243509)
Show SMILES COc1ccc2N(CCCc2c1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C20H22N2O4S/c1-26-17-8-11-19-15(14-17)4-2-13-22(19)27(24,25)18-9-6-16(7-10-18)21-12-3-5-20(21)23/h6-11,14H,2-5,12-13H2,1H3
Affinity DataEC50:  9nMAssay Description:Induction of p53 transcriptional activity (unknown origin) expressed in HEK293 cells coexpressing TK-driven Rluc after 20 to 22 hrs by luciferase rep...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCellular tumor antigen p53(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50463353(CHEMBL4248974)
Show SMILES CN1CCN(c2ccccc12)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C19H21N3O3S/c1-20-13-14-22(18-6-3-2-5-17(18)20)26(24,25)16-10-8-15(9-11-16)21-12-4-7-19(21)23/h2-3,5-6,8-11H,4,7,12-14H2,1H3
Affinity DataEC50:  2nMAssay Description:Induction of p53 transcriptional activity (unknown origin) expressed in HEK293 cells coexpressing TK-driven Rluc after 20 to 22 hrs by luciferase rep...More data for this Ligand-Target Pair
TargetCellular tumor antigen p53(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50463356(CHEMBL4240141)
Show SMILES CN1CCN(c2ccccc12)S(=O)(=O)c1ccc(cc1)N1CCC=N1
Show InChI InChI=1S/C18H20N4O2S/c1-20-13-14-22(18-6-3-2-5-17(18)20)25(23,24)16-9-7-15(8-10-16)21-12-4-11-19-21/h2-3,5-11H,4,12-14H2,1H3
Affinity DataEC50:  74nMAssay Description:Induction of p53 transcriptional activity (unknown origin) expressed in HEK293 cells coexpressing TK-driven Rluc after 20 to 22 hrs by luciferase rep...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCellular tumor antigen p53(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50463357(CHEMBL4243377)
Show SMILES CCCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C19H22N2O3S/c1-2-14-21(17-7-4-3-5-8-17)25(23,24)18-12-10-16(11-13-18)20-15-6-9-19(20)22/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3
Affinity DataEC50:  158nMAssay Description:Induction of p53 transcriptional activity (unknown origin) expressed in HEK293 cells coexpressing TK-driven Rluc after 20 to 22 hrs by luciferase rep...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCellular tumor antigen p53(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50463358(CHEMBL4244338)
Show SMILES CN1CCN(c2ccccc12)S(=O)(=O)c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C19H23N3O2S/c1-20-14-15-22(19-7-3-2-6-18(19)20)25(23,24)17-10-8-16(9-11-17)21-12-4-5-13-21/h2-3,6-11H,4-5,12-15H2,1H3
Affinity DataEC50:  65nMAssay Description:Induction of p53 transcriptional activity (unknown origin) expressed in HEK293 cells coexpressing TK-driven Rluc after 20 to 22 hrs by luciferase rep...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCellular tumor antigen p53(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50463355(CHEMBL4240977)
Show SMILES CC(C)(C)c1ccc2N(CCCc2c1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show InChI InChI=1S/C23H28N2O3S/c1-23(2,3)18-8-13-21-17(16-18)6-4-15-25(21)29(27,28)20-11-9-19(10-12-20)24-14-5-7-22(24)26/h8-13,16H,4-7,14-15H2,1-3H3
Affinity DataEC50:  152nMAssay Description:Induction of p53 transcriptional activity (unknown origin) expressed in HEK293 cells coexpressing TK-driven Rluc after 20 to 22 hrs by luciferase rep...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid