Compile Data Set for Download or QSAR
Found 15 Enz. Inhib. hit(s) with all data for entry = 50014786
TargetProtein arginine N-methyltransferase 8(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM178103(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
Affinity DataIC50: 4nMAssay Description:Inhibition of PRMT8 (unknown origin) by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 6(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM178103(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
Affinity DataIC50: 4nMAssay Description:Inhibition of PRMT6 (unknown origin) by scintillation proximity assayMore data for this Ligand-Target Pair
TargetHistone-arginine methyltransferase CARM1(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM178103(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
Affinity DataIC50: 4nMAssay Description:Inhibition of PRMT4 (unknown origin) by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 3(Homo sapiens)
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM178103(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
Affinity DataIC50: 4nMAssay Description:Inhibition of PRMT3 (unknown origin) by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 1(Homo sapiens)
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM178103(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)
Show SMILES CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN
Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
Affinity DataIC50: 4nMAssay Description:Inhibition of PRMT1 (unknown origin) by scintillation proximity assayMore data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 6(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50194756(CHEMBL3961701)
Show SMILES CNCCN1CCC(CC1)OCc1ccccc1
Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
Affinity DataIC50: 34nMAssay Description:Inhibition of PRMT6 (unknown origin)More data for this Ligand-Target Pair
TargetHistone-arginine methyltransferase CARM1(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50194756(CHEMBL3961701)
Show SMILES CNCCN1CCC(CC1)OCc1ccccc1
Show InChI InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
Affinity DataIC50: 34nMAssay Description:Inhibition of PRMT4 (unknown origin)More data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 6(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50580050(CHEMBL5075218)
Show SMILES Cc1ccc2NC(=O)CN([C@@H](c3cc(C)cc(C)c3)c2c1)C(=O)c1ccc(Br)s1
Show InChI InChI=1S/C23H21BrN2O2S/c1-13-4-5-18-17(11-13)22(16-9-14(2)8-15(3)10-16)26(12-21(27)25-18)23(28)19-6-7-20(24)29-19/h4-11,22H,12H2,1-3H3,(H,25,27)/t22-/m0/s1
Affinity DataIC50: 50nMAssay Description:Inhibition of N-terminal hexa-His-tagged/TEV cleavage site fused human full length PRMT6 expressed in baculovirus infected Sf9 insect cells using bio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtein arginine N-methyltransferase 6(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50580051(CHEMBL5070897)
Show SMILES Cc1ccc2NC(=O)CN([C@H](c3cc(C)cc(C)c3)c2c1)C(=O)c1ccc(Br)s1
Show InChI InChI=1S/C23H21BrN2O2S/c1-13-4-5-18-17(11-13)22(16-9-14(2)8-15(3)10-16)26(12-21(27)25-18)23(28)19-6-7-20(24)29-19/h4-11,22H,12H2,1-3H3,(H,25,27)/t22-/m1/s1
Affinity DataIC50: 77nMAssay Description:Inhibition of N-terminal hexa-His-tagged/TEV cleavage site fused human full length PRMT6 expressed in baculovirus infected Sf9 insect cells using bio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProtein arginine N-methyltransferase 6(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50580053(CHEMBL5094315)
Show SMILES Cc1ccc2NC(=O)CN([C@@H](c3ccc(F)cc3)c2c1)C(=O)c1ccc(Br)o1
Show InChI InChI=1S/C21H16BrFN2O3/c1-12-2-7-16-15(10-12)20(13-3-5-14(23)6-4-13)25(11-19(26)24-16)21(27)17-8-9-18(22)28-17/h2-10,20H,11H2,1H3,(H,24,26)/t20-/m0/s1
Affinity DataIC50: 100nMAssay Description:Inhibition of N-terminal hexa-His-tagged/TEV cleavage site fused human full length PRMT6 expressed in baculovirus infected Sf9 insect cells using bio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProtein arginine N-methyltransferase 6(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50580052(CHEMBL5085334)
Show SMILES Cc1ccc2NC(=O)CN(C(c3cc(C)cc(C)c3)c2c1)C(=O)c1ccc(Br)s1
Show InChI InChI=1S/C23H21BrN2O2S/c1-13-4-5-18-17(11-13)22(16-9-14(2)8-15(3)10-16)26(12-21(27)25-18)23(28)19-6-7-20(24)29-19/h4-11,22H,12H2,1-3H3,(H,25,27)
Affinity DataIC50: 214nMAssay Description:Inhibition of N-terminal hexa-His-tagged/TEV cleavage site fused human full length PRMT6 expressed in baculovirus infected Sf9 insect cells using bio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProtein arginine N-methyltransferase 6(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50580054(CHEMBL5084397)
Show SMILES Cc1ccc2NC(=O)CN([C@H](c3ccc(F)cc3)c2c1)C(=O)c1ccc(Br)o1
Show InChI InChI=1S/C21H16BrFN2O3/c1-12-2-7-16-15(10-12)20(13-3-5-14(23)6-4-13)25(11-19(26)24-16)21(27)17-8-9-18(22)28-17/h2-10,20H,11H2,1H3,(H,24,26)/t20-/m1/s1
Affinity DataIC50: 388nMAssay Description:Inhibition of N-terminal hexa-His-tagged/TEV cleavage site fused human full length PRMT6 expressed in baculovirus infected Sf9 insect cells using bio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProtein arginine N-methyltransferase 6(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50580051(CHEMBL5070897)
Show SMILES Cc1ccc2NC(=O)CN([C@H](c3cc(C)cc(C)c3)c2c1)C(=O)c1ccc(Br)s1
Show InChI InChI=1S/C23H21BrN2O2S/c1-13-4-5-18-17(11-13)22(16-9-14(2)8-15(3)10-16)26(12-21(27)25-18)23(28)19-6-7-20(24)29-19/h4-11,22H,12H2,1-3H3,(H,25,27)/t22-/m1/s1
Affinity DataIC50: 600nMAssay Description:Inhibition of FLAG-tagged PRMT6 (unknown origin) expressed in HEK293T assessed as reduction in H4R3me2a level measured after 20 hrs by SDS gel electr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProtein arginine N-methyltransferase 6(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50580055(CHEMBL5089738)
Show SMILES Cc1ccc2NC(=O)CN(C(c3ccc(F)cc3)c2c1)C(=O)c1ccc(Br)o1
Show InChI InChI=1S/C21H16BrFN2O3/c1-12-2-7-16-15(10-12)20(13-3-5-14(23)6-4-13)25(11-19(26)24-16)21(27)17-8-9-18(22)28-17/h2-10,20H,11H2,1H3,(H,24,26)
Affinity DataIC50: 755nMAssay Description:Inhibition of N-terminal hexa-His-tagged/TEV cleavage site fused human full length PRMT6 expressed in baculovirus infected Sf9 insect cells using bio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetProtein arginine N-methyltransferase 6(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50580051(CHEMBL5070897)
Show SMILES Cc1ccc2NC(=O)CN([C@H](c3cc(C)cc(C)c3)c2c1)C(=O)c1ccc(Br)s1
Show InChI InChI=1S/C23H21BrN2O2S/c1-13-4-5-18-17(11-13)22(16-9-14(2)8-15(3)10-16)26(12-21(27)25-18)23(28)19-6-7-20(24)29-19/h4-11,22H,12H2,1-3H3,(H,25,27)/t22-/m1/s1
Affinity DataIC50: 900nMAssay Description:Inhibition of FLAG-tagged PRMT6 (unknown origin) expressed in HEK293T assessed as reduction in H3R2me2a level measured after 20 hrs by SDS gel electr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB