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Patent code US10118918

Compile Data Set for Download or QSAR
Found 49 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))
BDBM297758
PNG
(US10118918, Compound 40)
Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C24H31N5O3/c1-17(30)29-10-7-21(8-11-29)27-23-12-18(6-9-25-23)24(32)26-13-22(31)16-28-14-19-4-2-3-5-20(19)15-28/h2-6,9,12,21-22,31H,7-8,10-11,13-16H2,1H3,(H,25,27)(H,26,32)/t22-/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297757
PNG
(US10118918, Compound 39)
Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H30N6O3/c1-16(30)29-8-6-19(7-9-29)27-22-10-21(25-15-26-22)23(32)24-11-20(31)14-28-12-17-4-2-3-5-18(17)13-28/h2-5,10,15,19-20,31H,6-9,11-14H2,1H3,(H,24,32)(H,25,26,27)/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297751
PNG
(US10118918, Compound 30)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NC2CCOCC2)c1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C22H28N4O3/c27-20(15-26-13-17-3-1-2-4-18(17)14-26)12-24-22(28)16-5-8-23-21(11-16)25-19-6-9-29-10-7-19/h1-5,8,11,19-20,27H,6-7,9-10,12-15H2,(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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297756
PNG
(US10118918, Compound 38)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2COC2)nc(n1)N1CCOCC1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H30N6O4/c30-19(13-28-11-16-3-1-2-4-17(16)12-28)10-24-22(31)20-9-21(25-18-14-33-15-18)27-23(26-20)29-5-7-32-8-6-29/h1-4,9,18-19,30H,5-8,10-15H2,(H,24,31)(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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297726
PNG
((R)No FitNNo Fit((S)-2-hydroxy-3-(isoindolin-2-yl)...)
Show SMILES C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,20+/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297725
PNG
((S)No FitN-(2-hydroxy-3-(isoindolin-2-yl)propyl)-2...)
Show SMILES O[C@@H](CNC(=O)COc1cccc2cccnc12)CN1Cc2ccccc2C1
Show InChI InChI=1S/C22H23N3O3/c26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20/h1-10,19,26H,11-15H2,(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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297750
PNG
(US10118918, Compound 29)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2CCOCC2)ncn1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C21H27N5O3/c27-18(13-26-11-15-3-1-2-4-16(15)12-26)10-22-21(28)19-9-20(24-14-23-19)25-17-5-7-29-8-6-17/h1-4,9,14,17-18,27H,5-8,10-13H2,(H,22,28)(H,23,24,25)/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297736
PNG
(2-(2-(N,N-dimethylsulfamoyl)phenoxy)-N-(2-hydroxy-...)
Show SMILES CN(C)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C21H27N3O5S/c1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24/h3-10,18,25H,11-15H2,1-2H3,(H,22,26)
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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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297749
PNG
(US10118918, Compound 28)
Show SMILES O[C@@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H29N3O3/c27-22(16-26-14-18-4-1-2-5-19(18)15-26)13-24-23(28)17-6-3-7-21(12-17)25-20-8-10-29-11-9-20/h1-7,12,20,22,25,27H,8-11,13-16H2,(H,24,28)/t22-/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297744
PNG
(US10118918, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@H](O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C21H27N3O5S/c1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24/h3-10,18,25H,11-15H2,1-2H3,(H,22,26)/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297745
PNG
(US10118918, Compound 24)
Show SMILES O[C@H](CNC(=O)c1cccc(NC2CCOCC2)c1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H29N3O3/c27-22(16-26-14-18-4-1-2-5-19(18)15-26)13-24-23(28)17-6-3-7-21(12-17)25-20-8-10-29-11-9-20/h1-7,12,20,22,25,27H,8-11,13-16H2,(H,24,28)/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297727
PNG
(N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-3-((tetrah...)
Show SMILES C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297748
PNG
(US10118918, Compound 27)
Show SMILES Cn1ncc2ccc(OCC(=O)NC[C@H](O)CN3Cc4ccccc4C3)cc12
Show InChI InChI=1S/C21H24N4O3/c1-24-20-8-19(7-6-15(20)9-23-24)28-14-21(27)22-10-18(26)13-25-11-16-4-2-3-5-17(16)12-25/h2-9,18,26H,10-14H2,1H3,(H,22,27)/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297734
PNG
(N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-3-(pyridin...)
Show SMILES OC(CNC(=O)c1cccc(c1)-c1ccccn1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H23N3O2/c27-21(16-26-14-19-6-1-2-7-20(19)15-26)13-25-23(28)18-9-5-8-17(12-18)22-10-3-4-11-24-22/h1-12,21,27H,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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297732
PNG
(US10118918, Compound 11 | tert-butyl (3-((2-hydrox...)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)C(=O)NCC(O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H29N3O4/c1-23(2,3)30-22(29)25-19-10-6-9-16(11-19)21(28)24-12-20(27)15-26-13-17-7-4-5-8-18(17)14-26/h4-11,20,27H,12-15H2,1-3H3,(H,24,28)(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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297755
PNG
(US10118918, Compound 37)
Show SMILES OC(CNC(=O)CCc1nc2ccccc2[nH]1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C21H24N4O2/c26-17(14-25-12-15-5-1-2-6-16(15)13-25)11-22-21(27)10-9-20-23-18-7-3-4-8-19(18)24-20/h1-8,17,26H,9-14H2,(H,22,27)(H,23,24)
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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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297754
PNG
(US10118918, Compound 36)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2COC2)nc(n1)C(F)(F)F)CN1Cc2ccccc2C1
Show InChI InChI=1S/C20H22F3N5O3/c21-20(22,23)19-26-16(5-17(27-19)25-14-10-31-11-14)18(30)24-6-15(29)9-28-7-12-3-1-2-4-13(12)8-28/h1-5,14-15,29H,6-11H2,(H,24,30)(H,25,26,27)/t15-/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297743
PNG
(US10118918, Compound 22)
Show SMILES CN1CCOc2cccc(OCC(=O)NC[C@@H](O)CN3Cc4ccccc4C3)c12
Show InChI InChI=1S/C22H27N3O4/c1-24-9-10-28-19-7-4-8-20(22(19)24)29-15-21(27)23-11-18(26)14-25-12-16-5-2-3-6-17(16)13-25/h2-8,18,26H,9-15H2,1H3,(H,23,27)/t18-/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297742
PNG
(US10118918, Compound 21)
Show SMILES CN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C21H27N3O5S/c1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24/h3-10,18,25H,11-15H2,1-2H3,(H,22,26)/t18-/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297740
PNG
(N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-2-(quinoli...)
Show SMILES OC(CNC(=O)COc1cccc2cccnc12)CN1Cc2ccccc2C1
Show InChI InChI=1S/C22H23N3O3/c26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20/h1-10,19,26H,11-15H2,(H,24,27)
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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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297729
PNG
(2-(2-(1H-pyrazol-3-yl)phenoxy)-N-(2-hydroxy-3-(iso...)
Show SMILES OC(CNC(=O)c1cccc(NC2CCOCC2)c1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H29N3O3/c27-22(16-26-14-18-4-1-2-5-19(18)15-26)13-24-23(28)17-6-3-7-21(12-17)25-20-8-10-29-11-9-20/h1-7,12,20,22,25,27H,8-11,13-16H2,(H,24,28)
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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297733
PNG
(N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-2-(2-(meth...)
Show SMILES CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)19-9-5-4-8-18(19)27-14-20(24)21-10-17(23)13-22-11-15-6-2-3-7-16(15)12-22/h2-9,17,23H,10-14H2,1H3,(H,21,24)
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n/an/a 550n/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297728
PNG
(US10118918, Compound 7)
Show SMILES OC(CNC(=O)COc1ccccc1-c1cc[nH]n1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C22H24N4O3/c27-18(14-26-12-16-5-1-2-6-17(16)13-26)11-23-22(28)15-29-21-8-4-3-7-19(21)20-9-10-24-25-20/h1-10,18,27H,11-15H2,(H,23,28)(H,24,25)
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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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297752
PNG
(US10118918, Compound 35)
Show SMILES Cc1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C20H25N5O3/c1-13-22-18(6-19(23-13)24-16-11-28-12-16)20(27)21-7-17(26)10-25-8-14-4-2-3-5-15(14)9-25/h2-6,16-17,26H,7-12H2,1H3,(H,21,27)(H,22,23,24)/t17-/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297747
PNG
(US10118918, Compound 26)
Show SMILES CN1CCOc2cccc(OCC(=O)NC[C@H](O)CN3Cc4ccccc4C3)c12
Show InChI InChI=1S/C22H27N3O4/c1-24-9-10-28-19-7-4-8-20(22(19)24)29-15-21(27)23-11-18(26)14-25-12-16-5-2-3-6-17(16)13-25/h2-8,18,26H,9-15H2,1H3,(H,23,27)/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297722
PNG
(US10118918, Compound 1)
Show SMILES C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@H](O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297737
PNG
((R)No FitN-(2-hydroxy-3-(isoindolin-2-yl)propyl)-2...)
Show SMILES O[C@H](CNC(=O)COc1cccc2cccnc12)CN1Cc2ccccc2C1
Show InChI InChI=1S/C22H23N3O3/c26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20/h1-10,19,26H,11-15H2,(H,24,27)/t19-/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297730
PNG
(1-(isoindolin-2-yl)-3-(3-(1-methyl-1H-benzo[d]imid...)
Show SMILES Cn1cnc2ccc(cc12)-c1cccc(OCC(O)CN2Cc3ccccc3C2)c1
Show InChI InChI=1S/C25H25N3O2/c1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28/h2-12,17,22,29H,13-16H2,1H3
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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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297772
PNG
(US10118918, Compound 53)
Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCCc2ccccc2C1
Show InChI InChI=1S/C26H35N5O3/c1-19(32)31-13-9-23(10-14-31)29-25-15-21(8-11-27-25)26(34)28-16-24(33)18-30-12-4-7-20-5-2-3-6-22(20)17-30/h2-3,5-6,8,11,15,23-24,33H,4,7,9-10,12-14,16-18H2,1H3,(H,27,29)(H,28,34)/t24-/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297723
PNG
(US10118918, Compound 2)
Show SMILES Nc1cccc(c1)C(=O)NCC(O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C18H21N3O2/c19-16-7-3-6-13(8-16)18(23)20-9-17(22)12-21-10-14-4-1-2-5-15(14)11-21/h1-8,17,22H,9-12,19H2,(H,20,23)
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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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297765
PNG
(US10118918, Compound 47)
Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCCCc2ccccc12
Show InChI InChI=1S/C25H34N6O3/c1-18(32)30-12-9-20(10-13-30)29-24-14-22(27-17-28-24)25(34)26-15-21(33)16-31-11-5-4-7-19-6-2-3-8-23(19)31/h2-3,6,8,14,17,20-21,33H,4-5,7,9-13,15-16H2,1H3,(H,26,34)(H,27,28,29)/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297739
PNG
(US10118918, Compound 18)
Show SMILES COc1ccc(Cn2cnc3ccc(cc23)-c2ccc(OCC(O)CN3Cc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C32H31N3O3/c1-37-29-11-6-23(7-12-29)17-35-22-33-31-15-10-25(16-32(31)35)24-8-13-30(14-9-24)38-21-28(36)20-34-18-26-4-2-3-5-27(26)19-34/h2-16,22,28,36H,17-21H2,1H3
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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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297759
PNG
(US10118918, Compound 41)
Show SMILES CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc12
Show InChI InChI=1S/C21H26N6O3/c1-14(28)27-10-16(11-27)25-20-8-18(23-13-24-20)21(30)22-9-17(29)12-26-7-6-15-4-2-3-5-19(15)26/h2-5,8,13,16-17,29H,6-7,9-12H2,1H3,(H,22,30)(H,23,24,25)/t17-/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297724
PNG
((R)No FitNNo Fit((R)-2-hydroxy-3-(isoindolin-2-yl)...)
Show SMILES C[C@@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,20-/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297768
PNG
(US10118918, Compound 49)
Show SMILES CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCCc2ccccc2C1
Show InChI InChI=1S/C23H30N6O3/c1-16(30)29-12-19(13-29)27-22-9-21(25-15-26-22)23(32)24-10-20(31)14-28-8-4-7-17-5-2-3-6-18(17)11-28/h2-3,5-6,9,15,19-20,31H,4,7-8,10-14H2,1H3,(H,24,32)(H,25,26,27)/t20-/m0/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297738
PNG
((R)-1-(isoindolin-2-yl)-3-(3-(1-methyl-1H-benzo[d]...)
Show SMILES Cn1cnc2ccc(cc12)-c1cccc(OC[C@H](O)CN2Cc3ccccc3C2)c1
Show InChI InChI=1S/C25H25N3O2/c1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28/h2-12,17,22,29H,13-16H2,1H3/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297741
PNG
(1-(3-((cyclopentylamino)methyl)phenoxy)-3-(isoindo...)
Show SMILES OC(COc1cccc(CNC2CCCC2)c1)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H30N2O2/c26-22(16-25-14-19-7-1-2-8-20(19)15-25)17-27-23-11-5-6-18(12-23)13-24-21-9-3-4-10-21/h1-2,5-8,11-12,21-22,24,26H,3-4,9-10,13-17H2
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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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297770
PNG
(US10118918, Compound 51)
Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCCCc2ccccc12
Show InChI InChI=1S/C26H35N5O3/c1-19(32)30-14-10-22(11-15-30)29-25-16-21(9-12-27-25)26(34)28-17-23(33)18-31-13-5-4-7-20-6-2-3-8-24(20)31/h2-3,6,8-9,12,16,22-23,33H,4-5,7,10-11,13-15,17-18H2,1H3,(H,27,29)(H,28,34)/t23-/m0/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297766
PNG
(US10118918, Compound 48)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCCc2ccccc2C1
Show InChI InChI=1S/C21H27N5O3/c27-18(11-26-7-3-6-15-4-1-2-5-16(15)10-26)9-22-21(28)19-8-20(24-14-23-19)25-17-12-29-13-17/h1-2,4-5,8,14,17-18,27H,3,6-7,9-13H2,(H,22,28)(H,23,24,25)/t18-/m0/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297771
PNG
(US10118918, Compound 52)
Show SMILES O=C(NCCCN1Cc2ccccc2C1)c1cc(NC2COC2)ncn1
Show InChI InChI=1S/C19H23N5O2/c25-19(17-8-18(22-13-21-17)23-16-11-26-12-16)20-6-3-7-24-9-14-4-1-2-5-15(14)10-24/h1-2,4-5,8,13,16H,3,6-7,9-12H2,(H,20,25)(H,21,22,23)
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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297760
PNG
(US10118918, Compound 42)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc12
Show InChI InChI=1S/C19H23N5O3/c25-15(9-24-6-5-13-3-1-2-4-17(13)24)8-20-19(26)16-7-18(22-12-21-16)23-14-10-27-11-14/h1-4,7,12,14-15,25H,5-6,8-11H2,(H,20,26)(H,21,22,23)/t15-/m0/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297762
PNG
(US10118918, Compound 44)
Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc12
Show InChI InChI=1S/C24H31N5O3/c1-17(30)28-12-8-20(9-13-28)27-23-14-19(6-10-25-23)24(32)26-15-21(31)16-29-11-7-18-4-2-3-5-22(18)29/h2-6,10,14,20-21,31H,7-9,11-13,15-16H2,1H3,(H,25,27)(H,26,32)/t21-/m0/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297764
PNG
(US10118918, Compound 46)
Show SMILES CC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCCCc2ccccc12
Show InChI InChI=1S/C23H30N6O3/c1-16(30)29-12-18(13-29)27-22-10-20(25-15-26-22)23(32)24-11-19(31)14-28-9-5-4-7-17-6-2-3-8-21(17)28/h2-3,6,8,10,15,18-19,31H,4-5,7,9,11-14H2,1H3,(H,24,32)(H,25,26,27)/t19-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a>1.00E+4n/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297769
PNG
(US10118918, Compound 50)
Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCCc2ccccc2C1
Show InChI InChI=1S/C25H34N6O3/c1-18(32)31-11-8-21(9-12-31)29-24-13-23(27-17-28-24)25(34)26-14-22(33)16-30-10-4-7-19-5-2-3-6-20(19)15-30/h2-3,5-6,13,17,21-22,33H,4,7-12,14-16H2,1H3,(H,26,34)(H,27,28,29)/t22-/m0/s1
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UniProtKB/SwissProt

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US Patent
n/an/a>1.00E+4n/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297761
PNG
(US10118918, Compound 43)
Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc12
Show InChI InChI=1S/C23H30N6O3/c1-16(30)28-10-7-18(8-11-28)27-22-12-20(25-15-26-22)23(32)24-13-19(31)14-29-9-6-17-4-2-3-5-21(17)29/h2-5,12,15,18-19,31H,6-11,13-14H2,1H3,(H,24,32)(H,25,26,27)/t19-/m0/s1
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US Patent
n/an/a>1.00E+4n/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297763
PNG
(US10118918, Compound 45)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCCCc2ccccc12
Show InChI InChI=1S/C21H27N5O3/c27-17(11-26-8-4-3-6-15-5-1-2-7-19(15)26)10-22-21(28)18-9-20(24-14-23-18)25-16-12-29-13-16/h1-2,5,7,9,14,16-17,27H,3-4,6,8,10-13H2,(H,22,28)(H,23,24,25)/t17-/m0/s1
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n/an/a>1.00E+4n/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297727
PNG
(N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-3-((tetrah...)
Show SMILES C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1
Show InChI InChI=1S/C23H25N3O3/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26/h2-11,16,20,27H,12-15H2,1H3,(H,25,28)/t16-,20+/m0/s1
PDB

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n/an/a>1.00E+4n/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297746
PNG
(US10118918, Compound 25)
Show SMILES Cn1ncc2ccc(OCC(=O)NC[C@@H](O)CN3Cc4ccccc4C3)cc12
Show InChI InChI=1S/C21H24N4O3/c1-24-20-8-19(7-6-15(20)9-23-24)28-14-21(27)22-10-18(26)13-25-11-16-4-2-3-5-17(16)12-25/h2-9,18,26H,10-14H2,1H3,(H,22,27)/t18-/m1/s1
PDB

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n/an/a 3.00E+4n/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 US10118918 (2018)

More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM297735
PNG
(US10118918, Compound 14)
Show SMILES Cn1cnc2ccc(cc12)-c1cccc(OC[C@@H](O)CN2Cc3ccccc3C2)c1
Show InChI InChI=1S/C25H25N3O2/c1-27-17-26-24-10-9-19(12-25(24)27)18-7-4-8-23(11-18)30-16-22(29)15-28-13-20-5-2-3-6-21(20)14-28/h2-12,17,22,29H,13-16H2,1H3/t22-/m0/s1
PDB

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n/an/a 3.00E+4n/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 US10118918 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%