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Patent code US9675614

Compile Data Set for Download or QSAR

Found 334 hits of Enzyme Inhibition Constant Data   
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))		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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
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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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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177005
PNG
(US10307413, Compound 122 | US10391089, Compound 12...)
Show SMILES CS(=O)(=O)N1CCC(C1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H32N4O4S/c1-33(31,32)28-12-10-22(16-28)26-21-8-4-7-19(13-21)24(30)25-14-23(29)17-27-11-9-18-5-2-3-6-20(18)15-27/h2-8,13,22-23,26,29H,9-12,14-17H2,1H3,(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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177006
PNG
(US10307413, Compound 123 | US10391089, Compound 12...)
Show SMILES CN1CCC(CC1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H34N4O2/c1-28-12-10-22(11-13-28)27-23-8-4-7-20(15-23)25(31)26-16-24(30)18-29-14-9-19-5-2-3-6-21(19)17-29/h2-8,15,22,24,27,30H,9-14,16-18H2,1H3,(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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177015
PNG
(US10307413, Compound 129 | US10391089, Compound 12...)
Show SMILES OC(CNC(=O)c1ccc(NC2CCOC2)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H29N3O3/c27-22(15-26-11-9-17-3-1-2-4-19(17)14-26)13-24-23(28)18-5-7-20(8-6-18)25-21-10-12-29-16-21/h1-8,21-22,25,27H,9-16H2,(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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177722
PNG
(US10307413, Compound 140 | US10391089, Compound 14...)
Show SMILES CC(C)N1CCC(CC1)Nc1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C27H38N4O2/c1-20(2)31-15-12-25(13-16-31)29-24-9-7-22(8-10-24)27(33)28-17-26(32)19-30-14-11-21-5-3-4-6-23(21)18-30/h3-10,20,25-26,29,32H,11-19H2,1-2H3,(H,28,33)
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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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177726
PNG
(US10307413, Compound 144 | US10391089, Compound 14...)
Show SMILES CN(C1CCOC1)c1ccc(cc1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O3/c1-26(22-11-13-30-17-22)21-8-6-19(7-9-21)24(29)25-14-23(28)16-27-12-10-18-4-2-3-5-20(18)15-27/h2-9,22-23,28H,10-17H2,1H3,(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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177910
PNG
(US10307413, Compound 164 | US10391089, Compound 16...)
Show SMILES OC(CNC(=O)c1cccc(c1)N1CCS(=O)(=O)CC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H29N3O4S/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)26-10-12-31(29,30)13-11-26/h1-7,14,22,27H,8-13,15-17H2,(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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177932
PNG
(US10307413, Compound 169 | US10391089, Compound 16...)
Show SMILES OC(CNC(=O)c1cc(NC2CCOCC2)n[nH]1)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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177961
PNG
(US10307413, Compound 181 | US10391089, Compound 18...)
Show SMILES CN1CCC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C22H30N6O2/c1-27-8-7-18(13-27)26-21-10-20(24-15-25-21)22(30)23-11-19(29)14-28-9-6-16-4-2-3-5-17(16)12-28/h2-5,10,15,18-19,29H,6-9,11-14H2,1H3,(H,23,30)(H,24,25,26)/t18?,19-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM178148
PNG
(US10307413, Compound 194 | US10391089, Compound 19...)
Show SMILES CN(C)C(=O)CCCN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C30H43N5O3/c1-32(2)29(37)11-6-13-33-15-17-34(18-16-33)21-24-7-5-10-26(19-24)30(38)31-20-28(36)23-35-14-12-25-8-3-4-9-27(25)22-35/h3-5,7-10,19,28,36H,6,11-18,20-23H2,1-2H3,(H,31,38)
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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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM178158
PNG
(US10307413, Compound 202 | US10391089, Compound 20...)
Show SMILES CN1CCC(CC1)Oc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H32N4O3/c1-27-11-8-22(9-12-27)31-23-14-19(6-10-25-23)24(30)26-15-21(29)17-28-13-7-18-4-2-3-5-20(18)16-28/h2-6,10,14,21-22,29H,7-9,11-13,15-17H2,1H3,(H,26,30)/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM178896
PNG
(US10307413, Compound 221 | US10391089, Compound 22...)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
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)/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179193
PNG
(US10307413, Compound 256 | US10391089, Compound 25...)
Show SMILES O[C@@H](CNC(=O)c1cc(OC2CCOCC2)ncn1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C22H28N4O4/c27-18(14-26-8-5-16-3-1-2-4-17(16)13-26)12-23-22(28)20-11-21(25-15-24-20)30-19-6-9-29-10-7-19/h1-4,11,15,18-19,27H,5-10,12-14H2,(H,23,28)/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179195
PNG
(US10307413, Compound 258 | US10391089, Compound 25...)
Show SMILES O[C@@H](CNC(=O)c1cc(OC2CCNCC2)ncn1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C22H29N5O3/c28-18(14-27-10-7-16-3-1-2-4-17(16)13-27)12-24-22(29)20-11-21(26-15-25-20)30-19-5-8-23-9-6-19/h1-4,11,15,18-19,23,28H,5-10,12-14H2,(H,24,29)/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179199
PNG
(US10307413, Compound 259 | US10391089, Compound 25...)
Show SMILES O[C@@H](CNC(=O)c1cncc(NC2CCNC2)c1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C22H29N5O2/c28-21(15-27-8-6-16-3-1-2-4-17(16)14-27)13-25-22(29)18-9-20(12-24-10-18)26-19-5-7-23-11-19/h1-4,9-10,12,19,21,23,26,28H,5-8,11,13-15H2,(H,25,29)/t19?,21-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179207
PNG
(US10307413, Compound 261 | US10391089, Compound 26...)
Show SMILES CN(C1CCOCC1)c1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C23H31N5O3/c1-27(19-7-10-31-11-8-19)22-12-21(25-16-26-22)23(30)24-13-20(29)15-28-9-6-17-4-2-3-5-18(17)14-28/h2-5,12,16,19-20,29H,6-11,13-15H2,1H3,(H,24,30)/t20-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179216
PNG
(US10307413, Compound 266 | US10391089, Compound 26...)
Show SMILES CC(=O)N1CC[C@@H](C1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C25H32N4O3/c1-18(30)29-12-10-23(16-29)27-22-8-4-7-20(13-22)25(32)26-14-24(31)17-28-11-9-19-5-2-3-6-21(19)15-28/h2-8,13,23-24,27,31H,9-12,14-17H2,1H3,(H,26,32)/t23-,24-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179222
PNG
(US10307413, Compound 272 | US10391089, Compound 27...)
Show SMILES O[C@@H](CNC(=O)c1nccc2ccccc12)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C22H23N3O2/c26-19(15-25-12-10-16-5-1-2-7-18(16)14-25)13-24-22(27)21-20-8-4-3-6-17(20)9-11-23-21/h1-9,11,19,26H,10,12-15H2,(H,24,27)/t19-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179377
PNG
(US10307413, Compound 301 | US10391089, Compound 30...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1cncc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H33N5O4S/c1-34(32,33)29-10-7-21(8-11-29)27-22-12-20(13-25-14-22)24(31)26-15-23(30)17-28-9-6-18-4-2-3-5-19(18)16-28/h2-5,12-14,21,23,27,30H,6-11,15-17H2,1H3,(H,26,31)/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179385
PNG
(US10307413, Compound 306 | US10391089, Compound 30...)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NC2CCOC2)c1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C22H28N4O3/c27-20(14-26-9-6-16-3-1-2-4-18(16)13-26)12-24-22(28)17-5-8-23-21(11-17)25-19-7-10-29-15-19/h1-5,8,11,19-20,27H,6-7,9-10,12-15H2,(H,23,25)(H,24,28)/t19?,20-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179393
PNG
(US10307413, Compound 314 | US10391089, Compound 31...)
Show SMILES CNCCNc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C21H29N5O2/c1-22-9-10-24-20-12-17(6-8-23-20)21(28)25-13-19(27)15-26-11-7-16-4-2-3-5-18(16)14-26/h2-6,8,12,19,22,27H,7,9-11,13-15H2,1H3,(H,23,24)(H,25,28)/t19-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179395
PNG
(US10307413, Compound 316 | US10391089, Compound 31...)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NCCNCC(F)(F)F)c1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C22H28F3N5O2/c23-22(24,25)15-26-8-9-28-20-11-17(5-7-27-20)21(32)29-12-19(31)14-30-10-6-16-3-1-2-4-18(16)13-30/h1-5,7,11,19,26,31H,6,8-10,12-15H2,(H,27,28)(H,29,32)/t19-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
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)
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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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177908
PNG
(US10307413, Compound 162 | US10391089, Compound 16...)
Show SMILES CS(=O)(=O)N1CCC(C1)Oc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O5S/c1-33(30,31)27-12-10-23(17-27)32-22-8-4-7-19(13-22)24(29)25-14-21(28)16-26-11-9-18-5-2-3-6-20(18)15-26/h2-8,13,21,23,28H,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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177929
PNG
(US10307413, Compound 168 | US10391089, Compound 16...)
Show SMILES C[C@@H]1CC(CCO1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-18-13-23(10-12-31-18)27-22-8-4-7-20(14-22)25(30)26-15-24(29)17-28-11-9-19-5-2-3-6-21(19)16-28/h2-8,14,18,23-24,27,29H,9-13,15-17H2,1H3,(H,26,30)/t18-,23?,24+/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177945
PNG
(US10307413, Compound 176 | US10391089, Compound 17...)
Show SMILES OC(CNC(=O)c1ccc(OC2CCNC2)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H29N3O3/c27-20(16-26-12-10-17-3-1-2-4-19(17)15-26)13-25-23(28)18-5-7-21(8-6-18)29-22-9-11-24-14-22/h1-8,20,22,24,27H,9-16H2,(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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM178905
PNG
(US10307413, Compound 230 | US10391089, Compound 23...)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2CCOC2)ncn1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C21H27N5O3/c27-18(12-26-7-5-15-3-1-2-4-16(15)11-26)10-22-21(28)19-9-20(24-14-23-19)25-17-6-8-29-13-17/h1-4,9,14,17-18,27H,5-8,10-13H2,(H,22,28)(H,23,24,25)/t17?,18-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179176
PNG
(US10307413, Compound 241 | US10391089, Compound 24...)
Show SMILES O[C@@H](CNC(=O)c1cccc2[nH]cnc12)CN1CCc2ccccc2C1 |r|
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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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179387
PNG
(US10307413, Compound 308 | US10391089, Compound 30...)
Show SMILES Cc1cnc(NC2CCOC2)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C23H30N4O3/c1-16-11-24-22(26-19-7-9-30-15-19)10-21(16)23(29)25-12-20(28)14-27-8-6-17-4-2-3-5-18(17)13-27/h2-5,10-11,19-20,28H,6-9,12-15H2,1H3,(H,24,26)(H,25,29)/t19?,20-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM179396
PNG
(US10307413, Compound 317 | US10391089, Compound 31...)
Show SMILES O[C@@H](CNC(=O)c1cnc2ccccc2c1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C22H23N3O2/c26-20(15-25-10-9-16-5-1-2-7-18(16)14-25)13-24-22(27)19-11-17-6-3-4-8-21(17)23-12-19/h1-8,11-12,20,26H,9-10,13-15H2,(H,24,27)/t20-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
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
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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
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)
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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
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)
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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
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)
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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM176972
PNG
(US10307413, Compound 101 | US10391089, Compound 10...)
Show SMILES CC(C)N1CCC(C1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H36N4O2/c1-19(2)30-13-11-24(17-30)28-23-9-5-8-21(14-23)26(32)27-15-25(31)18-29-12-10-20-6-3-4-7-22(20)16-29/h3-9,14,19,24-25,28,31H,10-13,15-18H2,1-2H3,(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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM176992
PNG
(US10307413, Compound 110 | US10391089, Compound 11...)
Show SMILES OC(CNC(=O)c1ccc(cc1)-n1cncn1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H23N5O2/c27-20(13-25-10-9-16-3-1-2-4-18(16)12-25)11-23-21(28)17-5-7-19(8-6-17)26-15-22-14-24-26/h1-8,14-15,20,27H,9-13H2,(H,23,28)
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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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM176997
PNG
(US10307413, Compound 115 | US10391089, Compound 11...)
Show SMILES CN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)C(CO)C1
Show InChI InChI=1S/C26H36N4O3/c1-28-11-12-30(24(17-28)19-31)15-20-5-4-8-22(13-20)26(33)27-14-25(32)18-29-10-9-21-6-2-3-7-23(21)16-29/h2-8,13,24-25,31-32H,9-12,14-19H2,1H3,(H,27,33)
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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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177014
PNG
(US10307413, Compound 128 | US10391089, Compound 12...)
Show SMILES OC(CNC(=O)c1ccc(NC2CCN(CC(F)(F)F)CC2)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H33F3N4O2/c27-26(28,29)18-32-13-10-23(11-14-32)31-22-7-5-20(6-8-22)25(35)30-15-24(34)17-33-12-9-19-3-1-2-4-21(19)16-33/h1-8,23-24,31,34H,9-18H2,(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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177671
PNG
(US10307413, Compound 133 | US10391089, Compound 13...)
Show SMILES OC(CNC(=O)c1cccc(OCCN2CCOCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H33N3O4/c29-23(19-28-9-8-20-4-1-2-5-22(20)18-28)17-26-25(30)21-6-3-7-24(16-21)32-15-12-27-10-13-31-14-11-27/h1-7,16,23,29H,8-15,17-19H2,(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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177923
PNG
(US10307413, Compound 167 | US10391089, Compound 16...)
Show SMILES C[C@H]1CC(CCO1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C25H33N3O3/c1-18-13-23(10-12-31-18)27-22-8-4-7-20(14-22)25(30)26-15-24(29)17-28-11-9-19-5-2-3-6-21(19)16-28/h2-8,14,18,23-24,27,29H,9-13,15-17H2,1H3,(H,26,30)/t18-,23?,24-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177944
PNG
(US10307413, Compound 175 | US10391089, Compound 17...)
Show SMILES CNC(=O)CCCN1CCN(Cc2cccc(c2)C(=O)NCC(O)CN2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C29H41N5O3/c1-30-28(36)10-5-12-32-14-16-33(17-15-32)20-23-6-4-9-25(18-23)29(37)31-19-27(35)22-34-13-11-24-7-2-3-8-26(24)21-34/h2-4,6-9,18,27,35H,5,10-17,19-22H2,1H3,(H,30,36)(H,31,37)
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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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM177960
PNG
(US10307413, Compound 180 | US10391089, Compound 18...)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2CCNCC2)ncn1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C22H30N6O2/c29-19(14-28-10-7-16-3-1-2-4-17(16)13-28)12-24-22(30)20-11-21(26-15-25-20)27-18-5-8-23-9-6-18/h1-4,11,15,18-19,23,29H,5-10,12-14H2,(H,24,30)(H,25,26,27)/t19-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM178085
PNG
(US10307413, Compound 188 | US10391089, Compound 18...)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NC2CCC2)c1)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/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 US9675614 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2F9B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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* indicates data uncertainty>20%