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Compile Data Set for Download or QSAR

Found 193 hits Enz. Inhib. hit(s) with all data for entry = 1811   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337027
PNG
(US9745291, Compound 73 | US9765068, Compound 73)
Show SMILES C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H27N3O3/c1-17(30-22-10-4-8-19-9-5-12-25-23(19)22)24(29)26-14-21(28)16-27-13-11-18-6-2-3-7-20(18)15-27/h2-10,12,17,21,28H,11,13-16H2,1H3,(H,26,29)/t17-,21+/m1/s1
PDB

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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337028
PNG
(US9745291, Compound 74 | US9765068, Compound 74)
Show SMILES C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H27N3O3/c1-17(30-22-10-4-8-19-9-5-12-25-23(19)22)24(29)26-14-21(28)16-27-13-11-18-6-2-3-7-20(18)15-27/h2-10,12,17,21,28H,11,13-16H2,1H3,(H,26,29)/t17-,21-/m1/s1
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337029
PNG
(US9745291, Compound 75 | US9765068, Compound 75)
Show SMILES OC(CNC(=O)COc1cccc(CN2CCOCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H33N3O4/c29-23(18-28-9-8-21-5-1-2-6-22(21)17-28)15-26-25(30)19-32-24-7-3-4-20(14-24)16-27-10-12-31-13-11-27/h1-7,14,23,29H,8-13,15-19H2,(H,26,30)
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337030
PNG
(US9745291, Compound 76 | US9765068, Compound 76)
Show SMILES C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H27N3O3/c1-17(30-22-10-4-8-19-9-5-12-25-23(19)22)24(29)26-14-21(28)16-27-13-11-18-6-2-3-7-20(18)15-27/h2-10,12,17,21,28H,11,13-16H2,1H3,(H,26,29)/t17-,21-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337031
PNG
(US9745291, Compound 77 | US9765068, Compound 77)
Show SMILES O[C@@H](CNC(=O)COc1ccccc1N1CCOCC1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H31N3O4/c28-21(17-26-10-9-19-5-1-2-6-20(19)16-26)15-25-24(29)18-31-23-8-4-3-7-22(23)27-11-13-30-14-12-27/h1-8,21,28H,9-18H2,(H,25,29)/t21-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337033
PNG
(US9745291, Compound 79 | US9765068, Compound 79)
Show SMILES OC(CNC(=O)COc1ccccc1N1CCNCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H32N4O3/c29-21(17-27-12-9-19-5-1-2-6-20(19)16-27)15-26-24(30)18-31-23-8-4-3-7-22(23)28-13-10-25-11-14-28/h1-8,21,25,29H,9-18H2,(H,26,30)
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337034
PNG
(US9745291, Compound 80 | US9765068, Compound 80)
Show SMILES CN1C(=O)COc2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12
Show InChI InChI=1S/C23H27N3O5/c1-25-22(29)15-31-20-8-4-7-19(23(20)25)30-14-21(28)24-11-18(27)13-26-10-9-16-5-2-3-6-17(16)12-26/h2-8,18,27H,9-15H2,1H3,(H,24,28)
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337035
PNG
(US9745291, Compound 81 | US9765068, Compound 81)
Show SMILES CN1CCOc2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12
Show InChI InChI=1S/C23H29N3O4/c1-25-11-12-29-20-7-4-8-21(23(20)25)30-16-22(28)24-13-19(27)15-26-10-9-17-5-2-3-6-18(17)14-26/h2-8,19,27H,9-16H2,1H3,(H,24,28)
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337036
PNG
(US9745291, Compound 82 | US9765068, Compound 82)
Show SMILES Cn1ncc2c(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cccc12
Show InChI InChI=1S/C22H26N4O3/c1-25-20-7-4-8-21(19(20)12-24-25)29-15-22(28)23-11-18(27)14-26-10-9-16-5-2-3-6-17(16)13-26/h2-8,12,18,27H,9-11,13-15H2,1H3,(H,23,28)
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337038
PNG
(US9745291, Compound 84 | US9765068, Compound 84)
Show SMILES CN1CCN(CC1)c1ccccc1OCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C25H34N4O3/c1-27-12-14-29(15-13-27)23-8-4-5-9-24(23)32-19-25(31)26-16-22(30)18-28-11-10-20-6-2-3-7-21(20)17-28/h2-9,22,30H,10-19H2,1H3,(H,26,31)/t22-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337040
PNG
(US9745291, Compound 86 | US9765068, Compound 86)
Show SMILES O[C@@H](CNC(=O)COc1ccccc1OCCN1CCOCC1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C26H35N3O5/c30-23(19-29-10-9-21-5-1-2-6-22(21)18-29)17-27-26(31)20-34-25-8-4-3-7-24(25)33-16-13-28-11-14-32-15-12-28/h1-8,23,30H,9-20H2,(H,27,31)/t23-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337044
PNG
(US9745291, Compound 90 | US9765068, Compound 90)
Show SMILES CC(=O)N1CCN(CC1)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H34N4O4/c1-20(31)29-12-14-30(15-13-29)24-8-4-5-9-25(24)34-19-26(33)27-16-23(32)18-28-11-10-21-6-2-3-7-22(21)17-28/h2-9,23,32H,10-19H2,1H3,(H,27,33)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337045
PNG
(US9745291, Compound 91 | US9765068, Compound 91)
Show SMILES OC(CNC(=O)COc1cccc2CNCCc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H29N3O3/c27-20(15-26-11-9-17-4-1-2-5-19(17)14-26)13-25-23(28)16-29-22-7-3-6-18-12-24-10-8-21(18)22/h1-7,20,24,27H,8-16H2,(H,25,28)
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337046
PNG
(US9745291, Compound 92 | US9765068, Compound 92)
Show SMILES OC(CNC(=O)COc1cccc2nccnc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H24N4O3/c27-18(14-26-11-8-16-4-1-2-5-17(16)13-26)12-25-21(28)15-29-20-7-3-6-19-22(20)24-10-9-23-19/h1-7,9-10,18,27H,8,11-15H2,(H,25,28)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337047
PNG
(US9745291, Compound 93 | US9765068, Compound 93)
Show SMILES OC(CNC(=O)COc1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H33N3O4/c29-23(17-28-11-8-19-4-1-2-5-20(19)16-28)15-26-25(30)18-32-24-7-3-6-22(14-24)27-21-9-12-31-13-10-21/h1-7,14,21,23,27,29H,8-13,15-18H2,(H,26,30)
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337048
PNG
(US9745291, Compound 94 | US9765068, Compound 94)
Show SMILES O[C@@H](CNC(=O)COc1c(CN2CCOCC2)ccc2cccnc12)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C28H34N4O4/c33-25(19-32-11-9-21-4-1-2-5-23(21)17-32)16-30-26(34)20-36-28-24(18-31-12-14-35-15-13-31)8-7-22-6-3-10-29-27(22)28/h1-8,10,25,33H,9,11-20H2,(H,30,34)/t25-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337049
PNG
(US9745291, Compound 95 | US9765068, Compound 95)
Show SMILES OC(CNC(=O)COc1ccc2n(ncc2c1)C1CCNC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H31N5O3/c31-22(16-29-10-8-18-3-1-2-4-19(18)15-29)14-27-25(32)17-33-23-5-6-24-20(11-23)12-28-30(24)21-7-9-26-13-21/h1-6,11-12,21-22,26,31H,7-10,13-17H2,(H,27,32)
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337050
PNG
(US9745291, Compound 96 | US9765068, Compound 96)
Show SMILES CN1CCC(C1)n1ncc2cc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)ccc12
Show InChI InChI=1S/C26H33N5O3/c1-29-10-9-22(16-29)31-25-7-6-24(12-21(25)13-28-31)34-18-26(33)27-14-23(32)17-30-11-8-19-4-2-3-5-20(19)15-30/h2-7,12-13,22-23,32H,8-11,14-18H2,1H3,(H,27,33)
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337052
PNG
(US9745291, Compound 98 | US9765068, Compound 98)
Show SMILES COc1ccc2cccc(OCC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)c2n1 |r|
Show InChI InChI=1S/C24H27N3O4/c1-30-23-10-9-18-7-4-8-21(24(18)26-23)31-16-22(29)25-13-20(28)15-27-12-11-17-5-2-3-6-19(17)14-27/h2-10,20,28H,11-16H2,1H3,(H,25,29)/t20-/m1/s1
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337053
PNG
(US9745291, Compound 99 | US9765068, Compound 99)
Show SMILES CN1CCc2c(C1)cccc2OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O3/c1-26-11-10-22-20(14-26)7-4-8-23(22)30-17-24(29)25-13-21(28)16-27-12-9-18-5-2-3-6-19(18)15-27/h2-8,21,28H,9-17H2,1H3,(H,25,29)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337054
PNG
(US9745291, Compound 100 | US9765068, Compound 100)
Show SMILES OC(CNC(=O)COc1cccc2OCCOc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H26N2O5/c25-18(14-24-9-8-16-4-1-2-5-17(16)13-24)12-23-21(26)15-29-20-7-3-6-19-22(20)28-11-10-27-19/h1-7,18,25H,8-15H2,(H,23,26)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337055
PNG
(US9745291, Compound 101 | US9765068, Compound 101)
Show SMILES CC(=O)N1CCc2c(C1)cccc2OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H31N3O4/c1-18(29)28-12-10-23-21(15-28)7-4-8-24(23)32-17-25(31)26-13-22(30)16-27-11-9-19-5-2-3-6-20(19)14-27/h2-8,22,30H,9-17H2,1H3,(H,26,31)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337056
PNG
(US9745291, Compound 102 | US9765068, Compound 102)
Show SMILES CS(=O)(=O)N1CCc2c(C1)cccc2OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O5S/c1-33(30,31)27-12-10-22-20(15-27)7-4-8-23(22)32-17-24(29)25-13-21(28)16-26-11-9-18-5-2-3-6-19(18)14-26/h2-8,21,28H,9-17H2,1H3,(H,25,29)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337057
PNG
(US9745291, Compound 103 | US9765068, Compound 103)
Show SMILES OC(CNC(=O)COc1ccccc1C1CCNCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H33N3O3/c29-22(17-28-14-11-19-5-1-2-6-21(19)16-28)15-27-25(30)18-31-24-8-4-3-7-23(24)20-9-12-26-13-10-20/h1-8,20,22,26,29H,9-18H2,(H,27,30)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337059
PNG
(US9745291, Compound 105 | US9765068, Compound 105)
Show SMILES CN(C)c1ccc2cccc(OCC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)c2n1 |r|
Show InChI InChI=1S/C25H30N4O3/c1-28(2)23-11-10-19-8-5-9-22(25(19)27-23)32-17-24(31)26-14-21(30)16-29-13-12-18-6-3-4-7-20(18)15-29/h3-11,21,30H,12-17H2,1-2H3,(H,26,31)/t21-/m1/s1
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337061
PNG
(US9745291, Compound 107 | US9765068, Compound 107)
Show SMILES OC(CNC(=O)COc1ccccc1S(=O)(=O)N1CCNCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H32N4O5S/c29-21(17-27-12-9-19-5-1-2-6-20(19)16-27)15-26-24(30)18-33-22-7-3-4-8-23(22)34(31,32)28-13-10-25-11-14-28/h1-8,21,25,29H,9-18H2,(H,26,30)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337062
PNG
(US9745291, Compound 108 | US9765068, Compound 108)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H34N4O5S/c1-27-12-14-29(15-13-27)35(32,33)24-9-5-4-8-23(24)34-19-25(31)26-16-22(30)18-28-11-10-20-6-2-3-7-21(20)17-28/h2-9,22,30H,10-19H2,1H3,(H,26,31)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337063
PNG
(US9745291, Compound 109 | US9765068, Compound 109)
Show SMILES CN(C)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H29N3O5S/c1-24(2)31(28,29)21-10-6-5-9-20(21)30-16-22(27)23-13-19(26)15-25-12-11-17-7-3-4-8-18(17)14-25/h3-10,19,26H,11-16H2,1-2H3,(H,23,27)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337064
PNG
(US9745291, Compound 110 | US9765068, Compound 110)
Show SMILES OC(CNC(=O)COc1ccccc1S(=O)(=O)N1CCCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O5S/c28-21(17-26-14-11-19-7-1-2-8-20(19)16-26)15-25-24(29)18-32-22-9-3-4-10-23(22)33(30,31)27-12-5-6-13-27/h1-4,7-10,21,28H,5-6,11-18H2,(H,25,29)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337065
PNG
(US9745291, Compound 111 | US9765068, Compound 111)
Show SMILES OC(CNC(=O)COc1ccccc1S(=O)(=O)N1CCC(O)C1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O6S/c28-20-10-12-27(16-20)34(31,32)23-8-4-3-7-22(23)33-17-24(30)25-13-21(29)15-26-11-9-18-5-1-2-6-19(18)14-26/h1-8,20-21,28-29H,9-17H2,(H,25,30)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337073
PNG
(US9745291, Compound 119 | US9765068, Compound 119)
Show SMILES OC(CNC(=O)COc1cccc2CCNCc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H29N3O3/c27-20(15-26-11-9-17-4-1-2-5-19(17)14-26)12-25-23(28)16-29-22-7-3-6-18-8-10-24-13-21(18)22/h1-7,20,24,27H,8-16H2,(H,25,28)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337077
PNG
(US9745291, Compound 123 | US9765068, Compound 123)
Show SMILES CNS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H27N3O5S/c1-22-30(27,28)20-9-5-4-8-19(20)29-15-21(26)23-12-18(25)14-24-11-10-16-6-2-3-7-17(16)13-24/h2-9,18,22,25H,10-15H2,1H3,(H,23,26)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337084
PNG
(US9745291, Compound 130 | US9765068, Compound 130)
Show SMILES CN1CCCC(C1)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H35N3O3/c1-28-13-6-9-22(16-28)24-10-4-5-11-25(24)32-19-26(31)27-15-23(30)18-29-14-12-20-7-2-3-8-21(20)17-29/h2-5,7-8,10-11,22-23,30H,6,9,12-19H2,1H3,(H,27,31)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337100
PNG
(US9745291, Compound 146 | US9765068, Compound 146)
Show SMILES Cc1cn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12
Show InChI InChI=1S/C24H29N3O3/c1-17-13-26(2)21-8-5-9-22(24(17)21)30-16-23(29)25-12-20(28)15-27-11-10-18-6-3-4-7-19(18)14-27/h3-9,13,20,28H,10-12,14-16H2,1-2H3,(H,25,29)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337103
PNG
(US9745291, Compound 149 | US9765068, Compound 149)
Show SMILES OC(CNC(=O)COc1ccccc1S(=O)(=O)N1CCOCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O6S/c28-21(17-26-10-9-19-5-1-2-6-20(19)16-26)15-25-24(29)18-33-22-7-3-4-8-23(22)34(30,31)27-11-13-32-14-12-27/h1-8,21,28H,9-18H2,(H,25,29)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337107
PNG
(US9745291, Compound 153 | US9765068, Compound 153)
Show SMILES Cn1cnc(c1)-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H28N4O3/c1-27-15-22(26-17-27)21-8-4-5-9-23(21)31-16-24(30)25-12-20(29)14-28-11-10-18-6-2-3-7-19(18)13-28/h2-9,15,17,20,29H,10-14,16H2,1H3,(H,25,30)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337109
PNG
(US9745291, Compound 155 | US9765068, Compound 155)
Show SMILES CN(c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1)S(C)(=O)=O
Show InChI InChI=1S/C22H29N3O5S/c1-24(31(2,28)29)20-9-5-6-10-21(20)30-16-22(27)23-13-19(26)15-25-12-11-17-7-3-4-8-18(17)14-25/h3-10,19,26H,11-16H2,1-2H3,(H,23,27)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337112
PNG
(US9745291, Compound 158 | US9765068, Compound 158)
Show SMILES Cc1nn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12
Show InChI InChI=1S/C23H28N4O3/c1-16-23-20(26(2)25-16)8-5-9-21(23)30-15-22(29)24-12-19(28)14-27-11-10-17-6-3-4-7-18(17)13-27/h3-9,19,28H,10-15H2,1-2H3,(H,24,29)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337113
PNG
(US9745291, Compound 159 | US9765068, Compound 159)
Show SMILES Cn1ncc2ccc(OCC(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc12 |r|
Show InChI InChI=1S/C22H26N4O3/c1-25-21-10-20(7-6-17(21)11-24-25)29-15-22(28)23-12-19(27)14-26-9-8-16-4-2-3-5-18(16)13-26/h2-7,10-11,19,27H,8-9,12-15H2,1H3,(H,23,28)/t19-/m0/s1
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337117
PNG
(US9745291, Compound 163 | US9765068, Compound 163)
Show SMILES Cc1cn(C)c2cccc(OCC(=O)NC[C@H](O)CN3CCc4ccccc4C3)c12 |r|
Show InChI InChI=1S/C24H29N3O3/c1-17-13-26(2)21-8-5-9-22(24(17)21)30-16-23(29)25-12-20(28)15-27-11-10-18-6-3-4-7-19(18)14-27/h3-9,13,20,28H,10-12,14-16H2,1-2H3,(H,25,29)/t20-/m0/s1
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337118
PNG
(US9745291, Compound 164 | US9765068, Compound 164)
Show SMILES Cc1cn(C)c2cccc(OCC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)c12 |r|
Show InChI InChI=1S/C24H29N3O3/c1-17-13-26(2)21-8-5-9-22(24(17)21)30-16-23(29)25-12-20(28)15-27-11-10-18-6-3-4-7-19(18)14-27/h3-9,13,20,28H,10-12,14-16H2,1-2H3,(H,25,29)/t20-/m1/s1
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337122
PNG
(US9745291, Compound 168 | US9765068, Compound 168)
Show SMILES Nc1ncnc2c(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cccc12
Show InChI InChI=1S/C22H25N5O3/c23-22-18-6-3-7-19(21(18)25-14-26-22)30-13-20(29)24-10-17(28)12-27-9-8-15-4-1-2-5-16(15)11-27/h1-7,14,17,28H,8-13H2,(H,24,29)(H2,23,25,26)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337123
PNG
(US9745291, Compound 169 | US9765068, Compound 169)
Show SMILES CN(C)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1S(N)(=O)=O
Show InChI InChI=1S/C22H30N4O5S/c1-25(2)19-8-5-9-20(22(19)32(23,29)30)31-15-21(28)24-12-18(27)14-26-11-10-16-6-3-4-7-17(16)13-26/h3-9,18,27H,10-15H2,1-2H3,(H,24,28)(H2,23,29,30)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337124
PNG
(US9745291, Compound 170 | US9765068, Compound 170)
Show SMILES CC(NC(=O)COc1ccccc1S(N)(=O)=O)C(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H27N3O5S/c1-15(18(25)13-24-11-10-16-6-2-3-7-17(16)12-24)23-21(26)14-29-19-8-4-5-9-20(19)30(22,27)28/h2-9,15,18,25H,10-14H2,1H3,(H,23,26)(H2,22,27,28)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337129
PNG
(US9745291, Compound 175 | US9745291, Compound 251 ...)
Show SMILES O[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)CN1CCc2ccccc2C1 |r|
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337135
PNG
(US9745291, Compound 181 | US9765068, Compound 181)
Show SMILES OC(CNC(=O)COc1cccc2cncnc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H24N4O3/c27-19(13-26-9-8-16-4-1-2-5-18(16)12-26)11-24-21(28)14-29-20-7-3-6-17-10-23-15-25-22(17)20/h1-7,10,15,19,27H,8-9,11-14H2,(H,24,28)
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337144
PNG
(US9745291, Compound 190 | US9765068, Compound 190)
Show SMILES CN1CCN(CC1)c1cccc(OCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 |r|
Show InChI InChI=1S/C25H34N4O3/c1-27-11-13-29(14-12-27)22-7-4-8-24(15-22)32-19-25(31)26-16-23(30)18-28-10-9-20-5-2-3-6-21(20)17-28/h2-8,15,23,30H,9-14,16-19H2,1H3,(H,26,31)/t23-/m1/s1
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM337145
PNG
(US9745291, Compound 191 | US9765068, Compound 191)
Show SMILES CN(C)CCN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C25H36N4O5S/c1-27(2)14-15-28(3)35(32,33)24-11-7-6-10-23(24)34-19-25(31)26-16-22(30)18-29-13-12-20-8-4-5-9-21(20)17-29/h4-11,22,30H,12-19H2,1-3H3,(H,26,31)/t22-/m1/s1
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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM336958
PNG
(US9745291, Compound 4 | US9765068, Compound 4)
Show SMILES OC(CNC(=O)COc1cccc2N(Cc3ccccc3)CCCc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C30H35N3O3/c34-26(21-32-17-15-24-10-4-5-11-25(24)20-32)18-31-30(35)22-36-29-14-6-13-28-27(29)12-7-16-33(28)19-23-8-2-1-3-9-23/h1-6,8-11,13-14,26,34H,7,12,15-22H2,(H,31,35)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM336960
PNG
(US9745291, Compound 6 | US9765068, Compound 6)
Show SMILES OC(CNC(=O)COc1cccc2cccnc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H25N3O3/c27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21/h1-9,11,20,27H,10,12-16H2,(H,25,28)
PDB

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Epizyme, Inc.

US Patent


Assay Description
Molecular Biology: Full-length human PRMT5 (NM_006109.3) transcript variant 1 clone was amplified from a fetal brain cDNA library, incorporating flan...


US Patent US9765068 (2017)


BindingDB Entry DOI: 10.7270/Q2959KN3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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