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Compile Data Set for Download or QSAR

Found 334 hits Enz. Inhib. hit(s) with all data for entry = 9834   
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))
BDBM176815
PNG
(US10307413, Compound 1 | US10391089, Compound 1 | ...)
Show SMILES OC(CNC(=O)c1cccc(c1)-c1ccccn1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H25N3O2/c28-22(17-27-13-11-18-6-1-2-7-21(18)16-27)15-26-24(29)20-9-5-8-19(14-20)23-10-3-4-12-25-23/h1-10,12,14,22,28H,11,13,15-17H2,(H,26,29)
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176816
PNG
(US10307413, Compound 2 | US10391089, Compound 2 | ...)
Show SMILES Cn1nccc1-c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H26N4O2/c1-26-22(9-11-25-26)18-7-4-8-19(13-18)23(29)24-14-21(28)16-27-12-10-17-5-2-3-6-20(17)15-27/h2-9,11,13,21,28H,10,12,14-16H2,1H3,(H,24,29)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176819
PNG
(US10307413, Compound 3 | US10391089, Compound 3 | ...)
Show SMILES O[C@@H](CNC(=O)c1ccccc1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C19H22N2O2/c22-18(12-20-19(23)16-7-2-1-3-8-16)14-21-11-10-15-6-4-5-9-17(15)13-21/h1-9,18,22H,10-14H2,(H,20,23)/t18-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176827
PNG
(US10307413, Compound 8 | US10391089, Compound 8 | ...)
Show SMILES OC(CNC(=O)c1cccc(c1)-c1cccnc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H25N3O2/c28-23(17-27-12-10-18-5-1-2-6-22(18)16-27)15-26-24(29)20-8-3-7-19(13-20)21-9-4-11-25-14-21/h1-9,11,13-14,23,28H,10,12,15-17H2,(H,26,29)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176828
PNG
(US10307413, Compound 9 | US10391089, Compound 9 | ...)
Show SMILES OC(CNC(=O)c1cccc(c1)-c1ccncc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H25N3O2/c28-23(17-27-13-10-18-4-1-2-5-22(18)16-27)15-26-24(29)21-7-3-6-20(14-21)19-8-11-25-12-9-19/h1-9,11-12,14,23,28H,10,13,15-17H2,(H,26,29)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176829
PNG
(US10307413, Compound 10 | US10391089, Compound 10 ...)
Show SMILES OC(CNC(=O)c1cccc(c1)-c1cc[nH]n1)CN1CCc2ccccc2C1
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176830
PNG
(US10307413, Compound 11 | US10391089, Compound 11 ...)
Show SMILES O[C@H](CNC(=O)Oc1ccccc1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C19H22N2O3/c22-17(12-20-19(23)24-18-8-2-1-3-9-18)14-21-11-10-15-6-4-5-7-16(15)13-21/h1-9,17,22H,10-14H2,(H,20,23)/t17-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176832
PNG
(US10307413, Compound 13 | US10391089, Compound 13 ...)
Show SMILES OC(CNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H25N3O2/c28-22(17-27-14-12-18-5-1-2-6-21(18)16-27)15-26-24(29)20-10-8-19(9-11-20)23-7-3-4-13-25-23/h1-11,13,22,28H,12,14-17H2,(H,26,29)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176833
PNG
(US10307413, Compound 14 | US10391089, Compound 14 ...)
Show SMILES OC(CNC(=O)c1cccc(c1)N1CCOCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H29N3O3/c27-22(17-25-9-8-18-4-1-2-5-20(18)16-25)15-24-23(28)19-6-3-7-21(14-19)26-10-12-29-13-11-26/h1-7,14,22,27H,8-13,15-17H2,(H,24,28)
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176835
PNG
(US10307413, Compound 15 | US10391089, Compound 15 ...)
Show SMILES OC(CNC(=O)c1cccc(CNC2CCOCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H33N3O3/c29-24(18-28-11-8-20-5-1-2-6-22(20)17-28)16-27-25(30)21-7-3-4-19(14-21)15-26-23-9-12-31-13-10-23/h1-7,14,23-24,26,29H,8-13,15-18H2,(H,27,30)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176836
PNG
(US10307413, Compound 16 | US10391089, Compound 16 ...)
Show SMILES OC(CNC(=O)c1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O3/c28-23(17-27-11-8-18-4-1-2-5-20(18)16-27)15-25-24(29)19-6-3-7-22(14-19)26-21-9-12-30-13-10-21/h1-7,14,21,23,26,28H,8-13,15-17H2,(H,25,29)
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176840
PNG
(US10307413, Compound 19 | US10391089, Compound 19 ...)
Show SMILES O[C@H](CNC(=O)c1cccc(c1)-c1ccccn1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H25N3O2/c28-22(17-27-13-11-18-6-1-2-7-21(18)16-27)15-26-24(29)20-9-5-8-19(14-20)23-10-3-4-12-25-23/h1-10,12,14,22,28H,11,13,15-17H2,(H,26,29)/t22-/m1/s1
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176841
PNG
(US10307413, Compound 20 | US10391089, Compound 20 ...)
Show SMILES O[C@@H](CNC(=O)c1cccc(c1)-c1ccccn1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H25N3O2/c28-22(17-27-13-11-18-6-1-2-7-21(18)16-27)15-26-24(29)20-9-5-8-19(14-20)23-10-3-4-12-25-23/h1-10,12,14,22,28H,11,13,15-17H2,(H,26,29)/t22-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176849
PNG
(US10307413, Compound 24 | US10391089, Compound 24 ...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C20H25N3O4S/c1-28(26,27)22-18-8-4-7-16(11-18)20(25)21-12-19(24)14-23-10-9-15-5-2-3-6-17(15)13-23/h2-8,11,19,22,24H,9-10,12-14H2,1H3,(H,21,25)
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176854
PNG
(US10307413, Compound 28 | US10391089, Compound 28 ...)
Show SMILES CN(C)CCOc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H31N3O3/c1-25(2)12-13-29-22-9-5-8-19(14-22)23(28)24-15-21(27)17-26-11-10-18-6-3-4-7-20(18)16-26/h3-9,14,21,27H,10-13,15-17H2,1-2H3,(H,24,28)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176855
PNG
(US10307413, Compound 29 | US10391089, Compound 29 ...)
Show SMILES OC(CNC(=O)c1cccc(CN2CCNCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H32N4O2/c29-23(18-28-11-8-20-5-1-2-6-22(20)17-28)15-26-24(30)21-7-3-4-19(14-21)16-27-12-9-25-10-13-27/h1-7,14,23,25,29H,8-13,15-18H2,(H,26,30)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176856
PNG
(US10307413, Compound 30 | US10391089, Compound 30 ...)
Show SMILES CN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-27-11-13-28(14-12-27)17-20-5-4-8-22(15-20)25(31)26-16-24(30)19-29-10-9-21-6-2-3-7-23(21)18-29/h2-8,15,24,30H,9-14,16-19H2,1H3,(H,26,31)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176862
PNG
(US10307413, Compound 34 | US10391089, Compound 34 ...)
Show SMILES CN1CCCC1c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O2/c1-26-12-5-10-23(26)19-8-4-9-20(14-19)24(29)25-15-22(28)17-27-13-11-18-6-2-3-7-21(18)16-27/h2-4,6-9,14,22-23,28H,5,10-13,15-17H2,1H3,(H,25,29)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176863
PNG
(US10307413, Compound 35 | US10391089, Compound 35 ...)
Show SMILES OC(CNC(=O)c1cccc(c1)N1CCNCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H30N4O2/c28-22(17-26-11-8-18-4-1-2-5-20(18)16-26)15-25-23(29)19-6-3-7-21(14-19)27-12-9-24-10-13-27/h1-7,14,22,24,28H,8-13,15-17H2,(H,25,29)
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176864
PNG
(US10307413, Compound 36 | US10391089, Compound 36 ...)
Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H32N4O2/c1-26-11-13-28(14-12-26)22-8-4-7-20(15-22)24(30)25-16-23(29)18-27-10-9-19-5-2-3-6-21(19)17-27/h2-8,15,23,29H,9-14,16-18H2,1H3,(H,25,30)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176865
PNG
(US10307413, Compound 37 | US10391089, Compound 37 ...)
Show SMILES OC(CNC(=O)c1cccc(c1)C1CCNC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H29N3O2/c27-22(16-26-11-9-17-4-1-2-5-21(17)15-26)14-25-23(28)19-7-3-6-18(12-19)20-8-10-24-13-20/h1-7,12,20,22,24,27H,8-11,13-16H2,(H,25,28)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176866
PNG
(US10307413, Compound 38 | US10391089, Compound 38 ...)
Show SMILES CN1CCC(C1)c1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O2/c1-26-11-9-22(15-26)19-7-4-8-20(13-19)24(29)25-14-23(28)17-27-12-10-18-5-2-3-6-21(18)16-27/h2-8,13,22-23,28H,9-12,14-17H2,1H3,(H,25,29)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176868
PNG
(US10307413, Compound 40 | US10391089, Compound 40 ...)
Show SMILES Cc1c(NC2CCOCC2)cccc1C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H33N3O3/c1-18-23(7-4-8-24(18)27-21-10-13-31-14-11-21)25(30)26-15-22(29)17-28-12-9-19-5-2-3-6-20(19)16-28/h2-8,21-22,27,29H,9-17H2,1H3,(H,26,30)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176888
PNG
(US10307413, Compound 54 | US10391089, Compound 54 ...)
Show SMILES OC(CNC(=O)c1cncc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H30N4O3/c28-22(16-27-8-5-17-3-1-2-4-18(17)15-27)14-25-23(29)19-11-21(13-24-12-19)26-20-6-9-30-10-7-20/h1-4,11-13,20,22,26,28H,5-10,14-16H2,(H,25,29)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176891
PNG
(US10307413, Compound 55 | US10391089, Compound 55 ...)
Show SMILES OC(CNC(=O)c1cc(NC2CCOCC2)ccn1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H30N4O3/c28-21(16-27-10-6-17-3-1-2-4-18(17)15-27)14-25-23(29)22-13-20(5-9-24-22)26-19-7-11-30-12-8-19/h1-5,9,13,19,21,28H,6-8,10-12,14-16H2,(H,24,26)(H,25,29)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176899
PNG
(US10307413, Compound 58 | US10391089, Compound 58 ...)
Show SMILES OC(CNC(=O)c1ccc(OC2CCOCC2)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H30N2O4/c27-21(17-26-12-9-18-3-1-2-4-20(18)16-26)15-25-24(28)19-5-7-22(8-6-19)30-23-10-13-29-14-11-23/h1-8,21,23,27H,9-17H2,(H,25,28)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176902
PNG
(US10307413, Compound 59 | US10391089, Compound 59 ...)
Show SMILES OC(CNC(=O)c1cccc(CC2CCOCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H32N2O3/c28-24(18-27-11-8-21-5-1-2-6-23(21)17-27)16-26-25(29)22-7-3-4-20(15-22)14-19-9-12-30-13-10-19/h1-7,15,19,24,28H,8-14,16-18H2,(H,26,29)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176907
PNG
(US10307413, Compound 62 | US10391089, Compound 62 ...)
Show SMILES OC(CNC(=O)c1ccnc(NC2CCOCC2)n1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H29N5O3/c28-19(15-27-10-6-16-3-1-2-4-17(16)14-27)13-24-21(29)20-5-9-23-22(26-20)25-18-7-11-30-12-8-18/h1-5,9,18-19,28H,6-8,10-15H2,(H,24,29)(H,23,25,26)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176908
PNG
(US10307413, Compound 63 | US10391089, Compound 63 ...)
Show SMILES OC(CNC(=O)c1cc(NC2CCOCC2)ncn1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H29N5O3/c28-19(14-27-8-5-16-3-1-2-4-17(16)13-27)12-23-22(29)20-11-21(25-15-24-20)26-18-6-9-30-10-7-18/h1-4,11,15,18-19,28H,5-10,12-14H2,(H,23,29)(H,24,25,26)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176909
PNG
(US10307413, Compound 64 | US10391089, Compound 64 ...)
Show SMILES OC(CNC(=O)c1cc(Cl)cc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H30ClN3O3/c25-20-11-19(12-22(13-20)27-21-6-9-31-10-7-21)24(30)26-14-23(29)16-28-8-5-17-3-1-2-4-18(17)15-28/h1-4,11-13,21,23,27,29H,5-10,14-16H2,(H,26,30)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176869
PNG
(US10307413, Compound 41 | US10391089, Compound 41 ...)
Show SMILES CCN(C1CCOCC1)c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1C
Show InChI InChI=1S/C27H37N3O3/c1-3-30(23-12-15-33-16-13-23)26-10-6-9-25(20(26)2)27(32)28-17-24(31)19-29-14-11-21-7-4-5-8-22(21)18-29/h4-10,23-24,31H,3,11-19H2,1-2H3,(H,28,32)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176872
PNG
(US10307413, Compound 44 | US10391089, Compound 44 ...)
Show SMILES O[C@@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H31N3O3/c28-23(17-27-11-8-18-4-1-2-5-20(18)16-27)15-25-24(29)19-6-3-7-22(14-19)26-21-9-12-30-13-10-21/h1-7,14,21,23,26,28H,8-13,15-17H2,(H,25,29)/t23-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176873
PNG
(US10307413, Compound 45 | US10391089, Compound 45 ...)
Show SMILES OC(CNC(=O)c1cccc(NC2CCOC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H29N3O3/c27-22(15-26-10-8-17-4-1-2-5-19(17)14-26)13-24-23(28)18-6-3-7-20(12-18)25-21-9-11-29-16-21/h1-7,12,21-22,25,27H,8-11,13-16H2,(H,24,28)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176911
PNG
(US10307413, Compound 65 | US10391089, Compound 65 ...)
Show SMILES OC(CNC(=O)c1ccc(F)c(NC2CCOCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H30FN3O3/c25-22-6-5-18(13-23(22)27-20-8-11-31-12-9-20)24(30)26-14-21(29)16-28-10-7-17-3-1-2-4-19(17)15-28/h1-6,13,20-21,27,29H,7-12,14-16H2,(H,26,30)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176912
PNG
(US10307413, Compound 66 | US10391089, Compound 66 ...)
Show SMILES OC(CNC(=O)c1ccc(NC2CCOCC2)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O3/c28-23(17-27-12-9-18-3-1-2-4-20(18)16-27)15-25-24(29)19-5-7-21(8-6-19)26-22-10-13-30-14-11-22/h1-8,22-23,26,28H,9-17H2,(H,25,29)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176916
PNG
(US10307413, Compound 68 | US10391089, Compound 68 ...)
Show SMILES OC(CNC(=O)c1ccc2ncccc2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H23N3O2/c26-20(15-25-11-9-16-4-1-2-5-19(16)14-25)13-24-22(27)18-7-8-21-17(12-18)6-3-10-23-21/h1-8,10,12,20,26H,9,11,13-15H2,(H,24,27)
PDB

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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176923
PNG
(US10307413, Compound 73 | US10391089, Compound 73 ...)
Show SMILES OC(CNC(=O)c1cccc(NC2CCOCC2)n1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H30N4O3/c28-20(16-27-11-8-17-4-1-2-5-18(17)15-27)14-24-23(29)21-6-3-7-22(26-21)25-19-9-12-30-13-10-19/h1-7,19-20,28H,8-16H2,(H,24,29)(H,25,26)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176924
PNG
(US10307413, Compound 74 | US10391089, Compound 74 ...)
Show SMILES OC(CNC(=O)c1ccnc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H30N4O3/c28-21(16-27-10-6-17-3-1-2-4-19(17)15-27)14-25-23(29)18-5-9-24-22(13-18)26-20-7-11-30-12-8-20/h1-5,9,13,20-21,28H,6-8,10-12,14-16H2,(H,24,26)(H,25,29)
PDB

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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176927
PNG
(US10307413, Compound 77 | US10391089, Compound 77 ...)
Show SMILES COc1ccc(NC2CCOCC2)cc1C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H33N3O4/c1-31-24-7-6-21(27-20-9-12-32-13-10-20)14-23(24)25(30)26-15-22(29)17-28-11-8-18-4-2-3-5-19(18)16-28/h2-7,14,20,22,27,29H,8-13,15-17H2,1H3,(H,26,30)
PDB

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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176930
PNG
(US10307413, Compound 78 | US10391089, Compound 78 ...)
Show SMILES OC(CNC(=O)c1cc(F)cc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H30FN3O3/c25-20-11-19(12-22(13-20)27-21-6-9-31-10-7-21)24(30)26-14-23(29)16-28-8-5-17-3-1-2-4-18(17)15-28/h1-4,11-13,21,23,27,29H,5-10,14-16H2,(H,26,30)
PDB

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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176931
PNG
(US10307413, Compound 79 | US10391089, Compound 79 ...)
Show SMILES OC(CNC(=O)c1cccc(NC2CCOCC2)c1F)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H30FN3O3/c25-23-21(6-3-7-22(23)27-19-9-12-31-13-10-19)24(30)26-14-20(29)16-28-11-8-17-4-1-2-5-18(17)15-28/h1-7,19-20,27,29H,8-16H2,(H,26,30)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176932
PNG
(US10307413, Compound 80 | US10391089, Compound 80 ...)
Show SMILES O[C@@H](CNC(=O)c1cccc(NC2CCOC2)c1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C23H29N3O3/c27-22(15-26-10-8-17-4-1-2-5-19(17)14-26)13-24-23(28)18-6-3-7-20(12-18)25-21-9-11-29-16-21/h1-7,12,21-22,25,27H,8-11,13-16H2,(H,24,28)/t21?,22-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176933
PNG
(US10307413, Compound 81 | US10391089, Compound 81 ...)
Show SMILES O[C@H](CNC(=O)c1cccc(NC2CCOC2)c1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C23H29N3O3/c27-22(15-26-10-8-17-4-1-2-5-19(17)14-26)13-24-23(28)18-6-3-7-20(12-18)25-21-9-11-29-16-21/h1-7,12,21-22,25,27H,8-11,13-16H2,(H,24,28)/t21?,22-/m1/s1
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176934
PNG
(US10307413, Compound 82 | US10391089, Compound 82 ...)
Show SMILES O[C@@H](CNC(=O)c1cccc(OC2CCOCC2)c1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H30N2O4/c27-21(17-26-11-8-18-4-1-2-5-20(18)16-26)15-25-24(28)19-6-3-7-23(14-19)30-22-9-12-29-13-10-22/h1-7,14,21-22,27H,8-13,15-17H2,(H,25,28)/t21-/m0/s1
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176936
PNG
(US10307413, Compound 84 | US10391089, Compound 84 ...)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H25N3O2/c1-16-6-7-18-12-19(8-9-22(18)25-16)23(28)24-13-21(27)15-26-11-10-17-4-2-3-5-20(17)14-26/h2-9,12,21,27H,10-11,13-15H2,1H3,(H,24,28)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176951
PNG
(US10307413, Compound 90 | US10391089, Compound 90 ...)
Show SMILES CCN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C26H36N4O2/c1-2-28-12-14-29(15-13-28)18-21-6-5-9-23(16-21)26(32)27-17-25(31)20-30-11-10-22-7-3-4-8-24(22)19-30/h3-9,16,25,31H,2,10-15,17-20H2,1H3,(H,27,32)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176953
PNG
(US10307413, Compound 91 | US10391089, Compound 91 ...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C25H34N4O4S/c1-34(32,33)29-13-11-27(12-14-29)17-20-5-4-8-22(15-20)25(31)26-16-24(30)19-28-10-9-21-6-2-3-7-23(21)18-28/h2-8,15,24,30H,9-14,16-19H2,1H3,(H,26,31)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176954
PNG
(US10307413, Compound 92 | US10391089, Compound 92 ...)
Show SMILES OC(CNC(=O)c1cccc(CN2CCN(CC(F)(F)F)CC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H33F3N4O2/c27-26(28,29)19-32-12-10-31(11-13-32)16-20-4-3-7-22(14-20)25(35)30-15-24(34)18-33-9-8-21-5-1-2-6-23(21)17-33/h1-7,14,24,34H,8-13,15-19H2,(H,30,35)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176960
PNG
(US10307413, Compound 94 | US10391089, Compound 94 ...)
Show SMILES OC(CNC(=O)c1cccc(NC2CCNCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H32N4O2/c29-23(17-28-13-10-18-4-1-2-5-20(18)16-28)15-26-24(30)19-6-3-7-22(14-19)27-21-8-11-25-12-9-21/h1-7,14,21,23,25,27,29H,8-13,15-17H2,(H,26,30)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM176963
PNG
(US10307413, Compound 96 | US10391089, Compound 96 ...)
Show SMILES Cc1ccc(NC2CCOC2)cc1C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O3/c1-17-6-7-20(26-21-9-11-30-16-21)12-23(17)24(29)25-13-22(28)15-27-10-8-18-4-2-3-5-19(18)14-27/h2-7,12,21-22,26,28H,8-11,13-16H2,1H3,(H,25,29)
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Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween20, prepared on the day of use....


US Patent US10980794 (2021)


BindingDB Entry DOI: 10.7270/Q25X2D23
More data for this
Ligand-Target Pair
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