Compile Data Set for Download or QSAR
Found 75 Enz. Inhib. hit(s) with Target = 'Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3'
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM58113(2-(1H-Benzoimidazol-2-yl)-4-benzyl-5-methyl-2,4-di...)
Show SMILES Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C18H16N4O/c1-12-14(11-13-7-3-2-4-8-13)17(23)22(21-12)18-19-15-9-5-6-10-16(15)20-18/h2-10,21H,11H2,1H3,(H,19,20)
Affinity DataIC50: 480nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447957(CHEMBL3115004)
Show SMILES Cc1[nH]n(-c2nc3ccc(Br)cc3[nH]2)c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C18H15BrN4O/c1-11-14(9-12-5-3-2-4-6-12)17(24)23(22-11)18-20-15-8-7-13(19)10-16(15)21-18/h2-8,10,22H,9H2,1H3,(H,20,21)
Affinity DataIC50: 490nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447956(CHEMBL3114993)
Show SMILES Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H15ClN4O/c1-11-14(10-12-5-4-6-13(19)9-12)17(24)23(22-11)18-20-15-7-2-3-8-16(15)21-18/h2-9,22H,10H2,1H3,(H,20,21)
Affinity DataIC50: 540nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447955(CHEMBL3114997)
Show SMILES Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N4O/c1-11-14(10-12-6-8-13(9-7-12)19(20,21)22)17(27)26(25-11)18-23-15-4-2-3-5-16(15)24-18/h2-9,25H,10H2,1H3,(H,23,24)
Affinity DataIC50: 550nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447954(CHEMBL3115012)
Show SMILES Cc1[nH]n(-c2nc3ccc(C)cc3[nH]2)c(=O)c1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N4O/c1-11-3-8-16-17(9-11)25-19(24-16)27-18(28)15(12(2)26-27)10-13-4-6-14(7-5-13)20(21,22)23/h3-9,26H,10H2,1-2H3,(H,24,25)
Affinity DataIC50: 570nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447953(CHEMBL3114998)
Show SMILES Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(F)cc1
Show InChI InChI=1S/C18H15FN4O/c1-11-14(10-12-6-8-13(19)9-7-12)17(24)23(22-11)18-20-15-4-2-3-5-16(15)21-18/h2-9,22H,10H2,1H3,(H,20,21)
Affinity DataIC50: 600nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447952(CHEMBL3115005)
Show SMILES Cc1[nH]n(-c2nc3ccc(cc3[nH]2)C(F)(F)F)c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C19H15F3N4O/c1-11-14(9-12-5-3-2-4-6-12)17(27)26(25-11)18-23-15-8-7-13(19(20,21)22)10-16(15)24-18/h2-8,10,25H,9H2,1H3,(H,23,24)
Affinity DataIC50: 610nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447951(CHEMBL3114999)
Show SMILES COc1ccc(Cc2c(C)[nH]n(-c3nc4ccccc4[nH]3)c2=O)cc1
Show InChI InChI=1S/C19H18N4O2/c1-12-15(11-13-7-9-14(25-2)10-8-13)18(24)23(22-12)19-20-16-5-3-4-6-17(16)21-19/h3-10,22H,11H2,1-2H3,(H,20,21)
Affinity DataIC50: 630nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447950(CHEMBL3115006)
Show SMILES Cc1[nH]n(-c2nc3ccc(cc3[nH]2)C(C)(C)C)c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C22H24N4O/c1-14-17(12-15-8-6-5-7-9-15)20(27)26(25-14)21-23-18-11-10-16(22(2,3)4)13-19(18)24-21/h5-11,13,25H,12H2,1-4H3,(H,23,24)
Affinity DataIC50: 640nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447949(CHEMBL3115002)
Show SMILES Cc1[nH]n(-c2nc3ccc(C)cc3[nH]2)c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C19H18N4O/c1-12-8-9-16-17(10-12)21-19(20-16)23-18(24)15(13(2)22-23)11-14-6-4-3-5-7-14/h3-10,22H,11H2,1-2H3,(H,20,21)
Affinity DataIC50: 670nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447948(CHEMBL3115013)
Show SMILES COc1ccc(Cc2c(C)[nH]n(-c3nc4ccc(C)cc4[nH]3)c2=O)cc1
Show InChI InChI=1S/C20H20N4O2/c1-12-4-9-17-18(10-12)22-20(21-17)24-19(25)16(13(2)23-24)11-14-5-7-15(26-3)8-6-14/h4-10,23H,11H2,1-3H3,(H,21,22)
Affinity DataIC50: 680nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447947(CHEMBL3115000)
Show SMILES Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H20N4O/c1-16-20(15-17-11-13-19(14-12-17)18-7-3-2-4-8-18)23(29)28(27-16)24-25-21-9-5-6-10-22(21)26-24/h2-14,27H,15H2,1H3,(H,25,26)
Affinity DataIC50: 720nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447946(CHEMBL3115014)
Show SMILES Cc1[nH]n(-c2nc3ccc(C)cc3[nH]2)c(=O)c1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N4O/c1-10-3-6-16-17(7-10)23-19(22-16)25-18(26)13(11(2)24-25)8-12-4-5-14(20)15(21)9-12/h3-7,9,24H,8H2,1-2H3,(H,22,23)
Affinity DataIC50: 720nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447945(CHEMBL3114984)
Show SMILES Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C22H18N4O/c1-14-18(13-15-10-11-16-6-2-3-7-17(16)12-15)21(27)26(25-14)22-23-19-8-4-5-9-20(19)24-22/h2-12,25H,13H2,1H3,(H,23,24)
Affinity DataIC50: 750nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447944(CHEMBL3115016)
Show SMILES Cc1[nH]n(-c2nc3ccc(C)cc3[nH]2)c(=O)c1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN4O/c1-11-3-8-16-17(9-11)22-19(21-16)24-18(25)15(12(2)23-24)10-13-4-6-14(20)7-5-13/h3-9,23H,10H2,1-2H3,(H,21,22)
Affinity DataIC50: 750nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447943(CHEMBL3115017)
Show SMILES Cc1[nH]n(-c2nc3ccc(C)cc3[nH]2)c(=O)c1Cc1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4O/c1-11-3-8-16-17(9-11)22-19(21-16)24-18(25)15(12(2)23-24)10-13-4-6-14(20)7-5-13/h3-9,23H,10H2,1-2H3,(H,21,22)
Affinity DataIC50: 780nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447942(CHEMBL3115007)
Show SMILES Cc1[nH]n(-c2nc3cc(ccc3[nH]2)-c2ccccc2)c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C24H20N4O/c1-16-20(14-17-8-4-2-5-9-17)23(29)28(27-16)24-25-21-13-12-19(15-22(21)26-24)18-10-6-3-7-11-18/h2-13,15,27H,14H2,1H3,(H,25,26)
Affinity DataIC50: 810nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447941(CHEMBL3115015)
Show SMILES Cc1[nH]n(-c2nc3ccc(C)cc3[nH]2)c(=O)c1Cc1ccccc1Cl
Show InChI InChI=1S/C19H17ClN4O/c1-11-7-8-16-17(9-11)22-19(21-16)24-18(25)14(12(2)23-24)10-13-5-3-4-6-15(13)20/h3-9,23H,10H2,1-2H3,(H,21,22)
Affinity DataIC50: 910nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447940(CHEMBL3115008)
Show SMILES Cc1[nH]n(-c2nc3cc(ccc3[nH]2)-c2ccc(Cl)cc2)c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C24H19ClN4O/c1-15-20(13-16-5-3-2-4-6-16)23(30)29(28-15)24-26-21-12-9-18(14-22(21)27-24)17-7-10-19(25)11-8-17/h2-12,14,28H,13H2,1H3,(H,26,27)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50361127(CHEMBL1933603)
Show SMILES Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H14N4O2/c1-11-14(15(21)18-12-7-3-2-4-8-12)16(22)20(19-11)13-9-5-6-10-17-13/h2-10,19H,1H3,(H,18,21)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447939(CHEMBL3114990)
Show SMILES Clc1ccc2nc([nH]c2c1)-n1[nH]c(c(-c2ccccc2)c1=O)-c1ccccc1
Show InChI InChI=1S/C22H15ClN4O/c23-16-11-12-17-18(13-16)25-22(24-17)27-21(28)19(14-7-3-1-4-8-14)20(26-27)15-9-5-2-6-10-15/h1-13,26H,(H,24,25)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447938(CHEMBL3115009)
Show SMILES Cc1[nH]n(-c2nc3cc(ccc3[nH]2)-c2ccc(C)cc2)c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C25H22N4O/c1-16-8-10-19(11-9-16)20-12-13-22-23(15-20)27-25(26-22)29-24(30)21(17(2)28-29)14-18-6-4-3-5-7-18/h3-13,15,28H,14H2,1-2H3,(H,26,27)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447937(CHEMBL3114980)
Show SMILES Cc1[nH]n(-c2nc3ccc(C)cc3[nH]2)c(=O)c1C
Show InChI InChI=1S/C13H14N4O/c1-7-4-5-10-11(6-7)15-13(14-10)17-12(18)8(2)9(3)16-17/h4-6,16H,1-3H3,(H,14,15)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447936(CHEMBL3114996)
Show SMILES Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl2N4O/c1-10-12(8-11-6-7-13(19)14(20)9-11)17(25)24(23-10)18-21-15-4-2-3-5-16(15)22-18/h2-7,9,23H,8H2,1H3,(H,21,22)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447935(CHEMBL3114989)
Show SMILES Cc1c([nH]n(-c2nc3ccc(C)cc3[nH]2)c1=O)-c1ccccc1
Show InChI InChI=1S/C18H16N4O/c1-11-8-9-14-15(10-11)20-18(19-14)22-17(23)12(2)16(21-22)13-6-4-3-5-7-13/h3-10,21H,1-2H3,(H,19,20)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447934(CHEMBL3114982)
Show SMILES Cc1cc(=O)n([nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C11H10N4O/c1-7-6-10(16)15(14-7)11-12-8-4-2-3-5-9(8)13-11/h2-6,14H,1H3,(H,12,13)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447933(CHEMBL3115018)
Show SMILES Cc1[nH]n(-c2nc3ccc(C)cc3[nH]2)c(=O)c1Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H26N4O/c1-14-6-11-19-20(12-14)25-22(24-19)27-21(28)18(15(2)26-27)13-16-7-9-17(10-8-16)23(3,4)5/h6-12,26H,13H2,1-5H3,(H,24,25)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447932(CHEMBL3114973)
Show SMILES Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1C
Show InChI InChI=1S/C12H12N4O/c1-7-8(2)15-16(11(7)17)12-13-9-5-3-4-6-10(9)14-12/h3-6,15H,1-2H3,(H,13,14)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447931(CHEMBL3115001)
Show SMILES Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H24N4O/c1-14-17(13-15-9-11-16(12-10-15)22(2,3)4)20(27)26(25-14)21-23-18-7-5-6-8-19(18)24-21/h5-12,25H,13H2,1-4H3,(H,23,24)
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447930(CHEMBL3114985)
Show SMILES COC(=O)Cc1c(C)[nH]n(-c2nc3ccccc3[nH]2)c1=O
Show InChI InChI=1S/C14H14N4O3/c1-8-9(7-12(19)21-2)13(20)18(17-8)14-15-10-5-3-4-6-11(10)16-14/h3-6,17H,7H2,1-2H3,(H,15,16)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447929(CHEMBL3115003)
Show SMILES Cc1[nH]n(-c2nc3ccc(Cl)cc3[nH]2)c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C18H15ClN4O/c1-11-14(9-12-5-3-2-4-6-12)17(24)23(22-11)18-20-15-8-7-13(19)10-16(15)21-18/h2-8,10,22H,9H2,1H3,(H,20,21)
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447928(CHEMBL3115019)
Show SMILES Cc1[nH]n(-c2nc3ccc(C)cc3[nH]2)c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H22N4O/c1-16-8-13-22-23(14-16)27-25(26-22)29-24(30)21(17(2)28-29)15-18-9-11-20(12-10-18)19-6-4-3-5-7-19/h3-14,28H,15H2,1-2H3,(H,26,27)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447927(CHEMBL3114991)
Show SMILES Cc1ccc2nc([nH]c2c1)-n1[nH]c(c(-c2ccccc2)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H18N4O/c1-15-12-13-18-19(14-15)25-23(24-18)27-22(28)20(16-8-4-2-5-9-16)21(26-27)17-10-6-3-7-11-17/h2-14,26H,1H3,(H,24,25)
Affinity DataIC50: 5.80E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447926(CHEMBL3115010)
Show SMILES Cc1[nH]n(-c2nc3c(C)cccc3[nH]2)c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C19H18N4O/c1-12-7-6-10-16-17(12)21-19(20-16)23-18(24)15(13(2)22-23)11-14-8-4-3-5-9-14/h3-10,22H,11H2,1-2H3,(H,20,21)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM75610(2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one...)
Show SMILES O=c1cc([nH]n1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O/c21-15-10-14(11-6-2-1-3-7-11)19-20(15)16-17-12-8-4-5-9-13(12)18-16/h1-10,19H,(H,17,18)
Affinity DataIC50: 7.20E+3nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50463170(CHEMBL4239759)
Show SMILES COc1ccc(cc1)C1=C(Cl)C(=O)c2ccc(cc12)-c1ccc(C)cc1
Show InChI InChI=1S/C23H17ClO2/c1-14-3-5-15(6-4-14)17-9-12-19-20(13-17)21(22(24)23(19)25)16-7-10-18(26-2)11-8-16/h3-13H,1-2H3
Affinity DataIC50: 9.80E+3nMAssay Description:Inhibition of recombinant human AlkBH3 assessed as reduction in formaldehyde release using 40-mer single N3-meC as substrate incubated for 60 mins fo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447911(CHEMBL3115011)
Show SMILES Cc1[nH]n(-c2nc3ccc(C)c(C)c3[nH]2)c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C20H20N4O/c1-12-9-10-17-18(13(12)2)22-20(21-17)24-19(25)16(14(3)23-24)11-15-7-5-4-6-8-15/h4-10,23H,11H2,1-3H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447912(CHEMBL3114995)
Show SMILES Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H14Cl2N4O/c1-10-13(8-11-6-7-12(19)9-14(11)20)17(25)24(23-10)18-21-15-4-2-3-5-16(15)22-18/h2-7,9,23H,8H2,1H3,(H,21,22)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447913(CHEMBL3114994)
Show SMILES Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClN4O/c1-11-14(10-12-6-8-13(19)9-7-12)17(24)23(22-11)18-20-15-4-2-3-5-16(15)21-18/h2-9,22H,10H2,1H3,(H,20,21)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447914(CHEMBL3114992)
Show SMILES Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccccc1Cl
Show InChI InChI=1S/C18H15ClN4O/c1-11-13(10-12-6-2-3-7-14(12)19)17(24)23(22-11)18-20-15-8-4-5-9-16(15)21-18/h2-9,22H,10H2,1H3,(H,20,21)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447915(CHEMBL3114988)
Show SMILES O=c1c(Cc2ccccc2)c([nH]n1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H18N4O/c28-22-18(15-16-9-3-1-4-10-16)21(17-11-5-2-6-12-17)26-27(22)23-24-19-13-7-8-14-20(19)25-23/h1-14,26H,15H2,(H,24,25)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447916(CHEMBL3114987)
Show SMILES Cc1c([nH]n(-c2nc3ccccc3[nH]2)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H14N4O/c1-11-15(12-7-3-2-4-8-12)20-21(16(11)22)17-18-13-9-5-6-10-14(13)19-17/h2-10,20H,1H3,(H,18,19)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447917(CHEMBL3114981)
Show SMILES Cc1[nH]n(-c2nc3c(C)cccc3[nH]2)c(=O)c1C
Show InChI InChI=1S/C13H14N4O/c1-7-5-4-6-10-11(7)15-13(14-10)17-12(18)8(2)9(3)16-17/h4-6,16H,1-3H3,(H,14,15)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447918(CHEMBL3114979)
Show SMILES Cc1[nH]n(-c2ccccn2)c(=O)c1C
Show InChI InChI=1S/C10H11N3O/c1-7-8(2)12-13(10(7)14)9-5-3-4-6-11-9/h3-6,12H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447919(CHEMBL3114978)
Show SMILES Cc1[nH]n(-c2ncccn2)c(=O)c1C
Show InChI InChI=1S/C9H10N4O/c1-6-7(2)12-13(8(6)14)9-10-4-3-5-11-9/h3-5,12H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447920(CHEMBL3114977)
Show SMILES Cc1[nH]n(-c2nc3ccccc3n2C)c(=O)c1C
Show InChI InChI=1S/C13H14N4O/c1-8-9(2)15-17(12(8)18)13-14-10-6-4-5-7-11(10)16(13)3/h4-7,15H,1-3H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447921(CHEMBL3114976)
Show SMILES Cc1[nH]n(-c2nc3ccccc3o2)c(=O)c1C
Show InChI InChI=1S/C12H11N3O2/c1-7-8(2)14-15(11(7)16)12-13-9-5-3-4-6-10(9)17-12/h3-6,14H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447922(CHEMBL3114975)
Show SMILES Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C
Show InChI InChI=1S/C12H11N3OS/c1-7-8(2)14-15(11(7)16)12-13-9-5-3-4-6-10(9)17-12/h3-6,14H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50447923(CHEMBL3114974)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C
Show InChI InChI=1S/C11H12N2O/c1-8-9(2)12-13(11(8)14)10-6-4-3-5-7-10/h3-7,12H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of demethylase activity of PCA-1 (unknown origin) using 3-methyl cytosine oligo DNA as substrate after 1 hr by RT-PCR analysisMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Homo sapiens (Human))
Hyogo University of Health Science

Curated by ChEMBL
LigandPNGBDBM50463171(CHEMBL4242283)
Show SMILES COc1cccc(c1)C1=C(c2cc(ccc2C1=O)-c1ccc(C)cc1)c1cccc(OC)c1
Show InChI InChI=1S/C30H24O3/c1-19-10-12-20(13-11-19)21-14-15-26-27(18-21)28(22-6-4-8-24(16-22)32-2)29(30(26)31)23-7-5-9-25(17-23)33-3/h4-18H,1-3H3
Affinity DataIC50: 1.31E+4nMAssay Description:Inhibition of recombinant human AlkBH3 assessed as reduction in formaldehyde release using 40-mer single N3-meC as substrate incubated for 60 mins fo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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