Compile Data Set for Download or QSAR
Found 25 Enz. Inhib. hit(s) with all data for entry = 50033595
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347943(CHEMBL1800770)
Show SMILES Cc1ccc(Nc2c(nc3CN(CCn23)C(=O)C(C)(C)N)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H26FN5O/c1-15-4-10-18(11-5-15)26-21-20(16-6-8-17(24)9-7-16)27-19-14-28(12-13-29(19)21)22(30)23(2,3)25/h4-11,26H,12-14,25H2,1-3H3
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells by Q-patch assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347944(CHEMBL1800772)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23ClFN5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-7-16(24)8-4-14)20(29)26-17-9-5-15(23)6-10-17/h3-10,26H,11-13,25H2,1-2H3
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells by Q-patch assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347945(CHEMBL1800774)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3
Affinity DataIC50: 4.80E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells by Q-patch assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347947(CHEMBL1800776)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22ClF2N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(24)6-4-13)20(30)27-15-7-8-16(23)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells by Q-patch assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347939(CHEMBL1800137)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells by Q-patch assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347941(CHEMBL1800768)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1cccc(F)c1
Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-10-11-29-18(13-28)27-19(14-4-3-5-16(24)12-14)20(29)26-17-8-6-15(23)7-9-17/h3-9,12,26H,10-11,13,25H2,1-2H3
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells by Q-patch assayMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347939(CHEMBL1800137)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of CYP 3A4More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347945(CHEMBL1800774)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of CYP 2D6More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347939(CHEMBL1800137)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of CYP 2D6More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347945(CHEMBL1800774)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of CYP 3A4More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347939(CHEMBL1800137)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of CYP 2C19More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347945(CHEMBL1800774)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of CYP 2C19More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347945(CHEMBL1800774)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of CYP 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347939(CHEMBL1800137)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of CYP 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347939(CHEMBL1800137)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23F2N5O/c1-22(2,25)21(30)28-11-12-29-18(13-28)27-19(14-3-5-15(23)6-4-14)20(29)26-17-9-7-16(24)8-10-17/h3-10,26H,11-13,25H2,1-2H3
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of CYP 2C9More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347945(CHEMBL1800774)
Show SMILES CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22F3N5O/c1-22(2,26)21(31)29-9-10-30-18(12-29)28-19(13-3-5-14(23)6-4-13)20(30)27-15-7-8-16(24)17(25)11-15/h3-8,11,27H,9-10,12,26H2,1-2H3
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of CYP 2C9More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347948(CHEMBL601821 | GNF-PF-5069)
Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP 2D6More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347948(CHEMBL601821 | GNF-PF-5069)
Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP 2C9More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347948(CHEMBL601821 | GNF-PF-5069)
Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP 3A4More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347948(CHEMBL601821 | GNF-PF-5069)
Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP 1A2More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347948(CHEMBL601821 | GNF-PF-5069)
Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP 2C19More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347942(CHEMBL1800769)
Show SMILES Cc1ccc(Nc2c(nc3CN(CCn23)C(=O)CN)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H22FN5O/c1-14-2-8-17(9-3-14)24-21-20(15-4-6-16(22)7-5-15)25-18-13-26(19(28)12-23)10-11-27(18)21/h2-9,24H,10-13,23H2,1H3
Affinity DataIC50: 1.11E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by Q-patch assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347948(CHEMBL601821 | GNF-PF-5069)
Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1
Show InChI InChI=1S/C21H21N5O3/c22-11-19(27)25-8-9-26-18(12-25)24-20(14-4-2-1-3-5-14)21(26)23-15-6-7-16-17(10-15)29-13-28-16/h1-7,10,23H,8-9,11-13,22H2
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by Q-patch assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347946(CHEMBL1800775)
Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc(Cl)c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H18ClF2N5O/c21-15-6-5-14(9-16(15)23)25-20-19(12-1-3-13(22)4-2-12)26-17-11-27(18(29)10-24)7-8-28(17)20/h1-6,9,25H,7-8,10-11,24H2
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by Q-patch assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50347940(CHEMBL1800831)
Show SMILES NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1cccc(F)c1
Show InChI InChI=1S/C20H19F2N5O/c21-14-4-6-16(7-5-14)24-20-19(13-2-1-3-15(22)10-13)25-17-12-26(18(28)11-23)8-9-27(17)20/h1-7,10,24H,8-9,11-12,23H2
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells by Q-patch assayMore data for this Ligand-Target Pair