Compile Data Set for Download or QSAR
Found 22 Enz. Inhib. hit(s) with all data for entry = 779
TargetHistone H3.1 [22-45](Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155253(US10098888, Compound 1 | US9006242, 1)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1
Affinity DataIC50: 5nMAssay Description:General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...More data for this Ligand-Target Pair
TargetHistone H3.1 [22-45](Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US9006242, 105)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1
Show InChI InChI=1S/C31H42N4O3/c1-6-35(26-11-15-38-16-12-26)29-19-25(8-7-24-9-13-34(5)14-10-24)18-27(23(29)4)30(36)32-20-28-21(2)17-22(3)33-31(28)37/h17-19,24,26H,6,9-16,20H2,1-5H3,(H,32,36)(H,33,37)
Affinity DataIC50: 8.40nMAssay Description:General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US9006242, 105)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1
Show InChI InChI=1S/C31H42N4O3/c1-6-35(26-11-15-38-16-12-26)29-19-25(8-7-24-9-13-34(5)14-10-24)18-27(23(29)4)30(36)32-20-28-21(2)17-22(3)33-31(28)37/h17-19,24,26H,6,9-16,20H2,1-5H3,(H,32,36)(H,33,37)
Affinity DataIC50: 9.67nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US9006242, 105)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1
Show InChI InChI=1S/C31H42N4O3/c1-6-35(26-11-15-38-16-12-26)29-19-25(8-7-24-9-13-34(5)14-10-24)18-27(23(29)4)30(36)32-20-28-21(2)17-22(3)33-31(28)37/h17-19,24,26H,6,9-16,20H2,1-5H3,(H,32,36)(H,33,37)
Affinity DataIC50: 10nMAssay Description:General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...More data for this Ligand-Target Pair
TargetHistone H3.1 [22-45](Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155254(US10098888, Compound 2 | US9006242, 2)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1
Affinity DataIC50: 15nMAssay Description:General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155253(US10098888, Compound 1 | US9006242, 1)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1
Affinity DataIC50: 22.9nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US9006242, 105)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1
Show InChI InChI=1S/C31H42N4O3/c1-6-35(26-11-15-38-16-12-26)29-19-25(8-7-24-9-13-34(5)14-10-24)18-27(23(29)4)30(36)32-20-28-21(2)17-22(3)33-31(28)37/h17-19,24,26H,6,9-16,20H2,1-5H3,(H,32,36)(H,33,37)
Affinity DataIC50: 33.6nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetCytochrome P450 2C8(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US9006242, 105)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1
Show InChI InChI=1S/C31H42N4O3/c1-6-35(26-11-15-38-16-12-26)29-19-25(8-7-24-9-13-34(5)14-10-24)18-27(23(29)4)30(36)32-20-28-21(2)17-22(3)33-31(28)37/h17-19,24,26H,6,9-16,20H2,1-5H3,(H,32,36)(H,33,37)
Affinity DataIC50: 47.4nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US9006242, 105)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1
Show InChI InChI=1S/C31H42N4O3/c1-6-35(26-11-15-38-16-12-26)29-19-25(8-7-24-9-13-34(5)14-10-24)18-27(23(29)4)30(36)32-20-28-21(2)17-22(3)33-31(28)37/h17-19,24,26H,6,9-16,20H2,1-5H3,(H,32,36)(H,33,37)
Affinity DataIC50: 75.7nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetHistone H3.1 [22-45](Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155253(US10098888, Compound 1 | US9006242, 1)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1
Affinity DataIC50: 77nMAssay Description:General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155253(US10098888, Compound 1 | US9006242, 1)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1
Affinity DataIC50: 89.6nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155254(US10098888, Compound 2 | US9006242, 2)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1
Affinity DataIC50: 100nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155254(US10098888, Compound 2 | US9006242, 2)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1
Affinity DataIC50: 100nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155253(US10098888, Compound 1 | US9006242, 1)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1
Affinity DataIC50: 100nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetCytochrome P450 2C8(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155254(US10098888, Compound 2 | US9006242, 2)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1
Affinity DataIC50: 100nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US9006242, 105)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1
Show InChI InChI=1S/C31H42N4O3/c1-6-35(26-11-15-38-16-12-26)29-19-25(8-7-24-9-13-34(5)14-10-24)18-27(23(29)4)30(36)32-20-28-21(2)17-22(3)33-31(28)37/h17-19,24,26H,6,9-16,20H2,1-5H3,(H,32,36)(H,33,37)
Affinity DataIC50: 100nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155254(US10098888, Compound 2 | US9006242, 2)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1
Affinity DataIC50: 100nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155253(US10098888, Compound 1 | US9006242, 1)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1
Affinity DataIC50: 100nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetCytochrome P450 2C8(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155253(US10098888, Compound 1 | US9006242, 1)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1
Affinity DataIC50: 100nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155254(US10098888, Compound 2 | US9006242, 2)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1
Affinity DataIC50: 100nMAssay Description:The potential inhibition of enzyme activities of human cytochromes P450 (CYP) of Compound 1, 2, or 105 was evaluated using pooled human liver microso...More data for this Ligand-Target Pair
TargetHistone H3.1 [22-45](Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155255(US10098888, Compound 105 | US9006242, 105)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1
Show InChI InChI=1S/C31H42N4O3/c1-6-35(26-11-15-38-16-12-26)29-19-25(8-7-24-9-13-34(5)14-10-24)18-27(23(29)4)30(36)32-20-28-21(2)17-22(3)33-31(28)37/h17-19,24,26H,6,9-16,20H2,1-5H3,(H,32,36)(H,33,37)
Affinity DataIC50: 104nMAssay Description:General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...More data for this Ligand-Target Pair
TargetHistone H3.1 [22-45](Homo sapiens (Human))
Epizyme Inc

US Patent
LigandPNGBDBM155254(US10098888, Compound 2 | US9006242, 2)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1
Affinity DataIC50: 110nMAssay Description:General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...More data for this Ligand-Target Pair