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Patent code US9745291

Compile Data Set for Download or QSAR

Found 277 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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337198
PNG
(US9745291, Compound 244)
Show SMILES COCCNCCNC(=O)c1cccc(OCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C26H36N4O5/c1-34-14-12-27-10-11-28-26(33)21-7-4-8-24(15-21)35-19-25(32)29-16-23(31)18-30-13-9-20-5-2-3-6-22(20)17-30/h2-8,15,23,27,31H,9-14,16-19H2,1H3,(H,28,33)(H,29,32)/t23-/m1/s1
PDB

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US Patent
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337210
PNG
(US9745291, Compound 257)
Show SMILES CN(CC1CN(C)C1)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H36N4O5S/c1-28-14-20(15-28)16-29(2)36(33,34)25-10-6-5-9-24(25)35-19-26(32)27-13-23(31)18-30-12-11-21-7-3-4-8-22(21)17-30/h3-10,20,23,31H,11-19H2,1-2H3,(H,27,32)/t23-/m1/s1
PDB

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337213
PNG
(US9745291, Compound 260)
Show SMILES CC(C)N(C)CCN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C27H40N4O5S/c1-21(2)29(3)15-16-30(4)37(34,35)26-12-8-7-11-25(26)36-20-27(33)28-17-24(32)19-31-14-13-22-9-5-6-10-23(22)18-31/h5-12,21,24,32H,13-20H2,1-4H3,(H,28,33)/t24-/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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337215
PNG
(US9745291, Compound 262)
Show SMILES O[C@@H](CNC(=O)COc1ccccc1[C@@H]1CCCNC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H33N3O3/c29-22(17-28-13-11-19-6-1-2-7-21(19)16-28)15-27-25(30)18-31-24-10-4-3-9-23(24)20-8-5-12-26-14-20/h1-4,6-7,9-10,20,22,26,29H,5,8,11-18H2,(H,27,30)/t20-,22+/m1/s1
PDB

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM336980
PNG
(US9745291, Compound 26 | US9765068, Compound 26)
Show SMILES Cc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C21H26N2O3/c1-16-5-4-8-20(11-16)26-15-21(25)22-12-19(24)14-23-10-9-17-6-2-3-7-18(17)13-23/h2-8,11,19,24H,9-10,12-15H2,1H3,(H,22,25)
PDB

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM336993
PNG
(US9745291, Compound 39 | US9765068, Compound 39)
Show SMILES CC(Oc1cccc2cccnc12)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H27N3O3/c1-17(30-22-10-4-8-19-9-5-12-25-23(19)22)24(29)26-14-21(28)16-27-13-11-18-6-2-3-7-20(18)15-27/h2-10,12,17,21,28H,11,13-16H2,1H3,(H,26,29)
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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337024
PNG
(US9745291, Compound 70 | US9765068, Compound 70)
Show SMILES OC(CNC(=O)COc1ccc2cnn(C3CCNCC3)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H33N5O3/c32-23(17-30-12-9-19-3-1-2-4-21(19)16-30)15-28-26(33)18-34-24-6-5-20-14-29-31(25(20)13-24)22-7-10-27-11-8-22/h1-6,13-14,22-23,27,32H,7-12,15-18H2,(H,28,33)
PDB

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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



Epizyme, Inc.

US Patent


Assay Description
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337186
PNG
(US9745291, Compound 232)
Show SMILES CN(CC1CNC1)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H34N4O5S/c1-28(15-19-12-26-13-19)35(32,33)24-9-5-4-8-23(24)34-18-25(31)27-14-22(30)17-29-11-10-20-6-2-3-7-21(20)16-29/h2-9,19,22,26,30H,10-18H2,1H3,(H,27,31)/t22-/m1/s1
PDB

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337227
PNG
(US9745291, Compound 274)
Show SMILES CN(C[C@H]1CCN(C)C1)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C27H38N4O5S/c1-29-13-11-21(16-29)17-30(2)37(34,35)26-10-6-5-9-25(26)36-20-27(33)28-15-24(32)19-31-14-12-22-7-3-4-8-23(22)18-31/h3-10,21,24,32H,11-20H2,1-2H3,(H,28,33)/t21-,24+/m0/s1
PDB

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337042
PNG
(US9745291, Compound 88 | US9765068, Compound 88)
Show SMILES CN(C)CCOc1ccccc1OCC(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H33N3O4/c1-26(2)13-14-30-22-9-5-6-10-23(22)31-18-24(29)25-15-21(28)17-27-12-11-19-7-3-4-8-20(19)16-27/h3-10,21,28H,11-18H2,1-2H3,(H,25,29)/t21-/m0/s1
PDB

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337124
PNG
(US9745291, Compound 170 | US9765068, Compound 170)
Show SMILES CC(NC(=O)COc1ccccc1S(N)(=O)=O)C(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H27N3O5S/c1-15(18(25)13-24-11-10-16-6-2-3-7-17(16)12-24)23-21(26)14-29-19-8-4-5-9-20(19)30(22,27)28/h2-9,15,18,25H,10-14H2,1H3,(H,23,26)(H2,22,27,28)
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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337179
PNG
(US9745291, Compound 225)
Show SMILES O[C@@H](CNC(=O)CCc1nc2cc(F)ccc2[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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337204
PNG
(US9745291, Compound 250)
Show SMILES Cc1cccc2[nH]c(CCC(=O)NC[C@H](O)CN3CCc4ccccc4C3)nc12
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337230
PNG
(US9745291, Compound 277)
Show SMILES CCN1CCN(CC1)c1cccc(OCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1S(=O)(=O)N(C)C
Show InChI InChI=1S/C28H41N5O5S/c1-4-31-14-16-33(17-15-31)25-10-7-11-26(28(25)39(36,37)30(2)3)38-21-27(35)29-18-24(34)20-32-13-12-22-8-5-6-9-23(22)19-32/h5-11,24,34H,4,12-21H2,1-3H3,(H,29,35)/t24-/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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM336981
PNG
(US9745291, Compound 27 | US9765068, Compound 27)
Show SMILES CN(C)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C22H29N3O3/c1-24(2)19-8-5-9-21(12-19)28-16-22(27)23-13-20(26)15-25-11-10-17-6-3-4-7-18(17)14-25/h3-9,12,20,26H,10-11,13-16H2,1-2H3,(H,23,27)
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM336991
PNG
(US9745291, Compound 37 | US9765068, Compound 37)
Show SMILES CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H26N2O5S/c1-29(26,27)20-9-5-4-8-19(20)28-15-21(25)22-12-18(24)14-23-11-10-16-6-2-3-7-17(16)13-23/h2-9,18,24H,10-15H2,1H3,(H,22,25)
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337001
PNG
(US9745291, Compound 47 | US9765068, Compound 47)
Show SMILES CS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C21H26N2O5S/c1-29(26,27)20-8-4-7-19(11-20)28-15-21(25)22-12-18(24)14-23-10-9-16-5-2-3-6-17(16)13-23/h2-8,11,18,24H,9-10,12-15H2,1H3,(H,22,25)
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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337003
PNG
(US9745291, Compound 49 | US9765068, Compound 49)
Show SMILES OC(CNC(=O)COc1ccccc1N1CCOCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O4/c28-21(17-26-10-9-19-5-1-2-6-20(19)16-26)15-25-24(29)18-31-23-8-4-3-7-22(23)27-11-13-30-14-12-27/h1-8,21,28H,9-18H2,(H,25,29)
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337018
PNG
(US9745291, Compound 64 | US9765068, Compound 64)
Show SMILES OC(CNC(=O)COc1cccc2CCCCc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H30N2O3/c27-21(16-26-13-12-18-6-1-2-8-20(18)15-26)14-25-24(28)17-29-23-11-5-9-19-7-3-4-10-22(19)23/h1-2,5-6,8-9,11,21,27H,3-4,7,10,12-17H2,(H,25,28)
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337021
PNG
(US9745291, Compound 67 | US9765068, Compound 67)
Show SMILES O[C@H](CNC(=O)COc1ccccc1-c1cc[nH]n1)CN1CCc2ccccc2C1
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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Epizyme, Inc.

US Patent


Assay Description
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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Epizyme, Inc.

US Patent


Assay Description
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337155
PNG
(US9745291, Compound 201)
Show SMILES CNCCN(C)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H34N4O5S/c1-25-12-14-27(2)34(31,32)23-10-6-5-9-22(23)33-18-24(30)26-15-21(29)17-28-13-11-19-7-3-4-8-20(19)16-28/h3-10,21,25,29H,11-18H2,1-2H3,(H,26,30)/t21-/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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337156
PNG
(US9745291, Compound 202)
Show SMILES CC1CNCCN1S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H34N4O5S/c1-19-14-26-11-13-29(19)35(32,33)24-9-5-4-8-23(24)34-18-25(31)27-15-22(30)17-28-12-10-20-6-2-3-7-21(20)16-28/h2-9,19,22,26,30H,10-18H2,1H3,(H,27,31)/t19?,22-/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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337175
PNG
(US9745291, Compound 221)
Show SMILES NC1CCN(C1)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H32N4O5S/c25-20-10-12-28(15-20)34(31,32)23-8-4-3-7-22(23)33-17-24(30)26-13-21(29)16-27-11-9-18-5-1-2-6-19(18)14-27/h1-8,20-21,29H,9-17,25H2,(H,26,30)/t20?,21-/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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337192
PNG
(US9745291, Compound 238)
Show SMILES CN(CC1CCN(C)C1)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C27H38N4O5S/c1-29-13-11-21(16-29)17-30(2)37(34,35)26-10-6-5-9-25(26)36-20-27(33)28-15-24(32)19-31-14-12-22-7-3-4-8-23(22)18-31/h3-10,21,24,32H,11-20H2,1-2H3,(H,28,33)/t21?,24-/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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337200
PNG
(US9745291, Compound 246)
Show SMILES CNC1CN(CC1O)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H34N4O6S/c1-26-21-15-29(16-22(21)31)36(33,34)24-9-5-4-8-23(24)35-17-25(32)27-12-20(30)14-28-11-10-18-6-2-3-7-19(18)13-28/h2-9,20-22,26,30-31H,10-17H2,1H3,(H,27,32)/t20-,21?,22?/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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337231
PNG
(US9745291, Compound 278A)
Show SMILES CN(C)S(=O)(=O)c1c(OCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cccc1N1CCN(CC1)C1CC1
Show InChI InChI=1S/C29H41N5O5S/c1-31(2)40(37,38)29-26(34-16-14-33(15-17-34)24-10-11-24)8-5-9-27(29)39-21-28(36)30-18-25(35)20-32-13-12-22-6-3-4-7-23(22)19-32/h3-9,24-25,35H,10-21H2,1-2H3,(H,30,36)/t25-/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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM336973
PNG
(US9745291, Compound 19 | US9765068, Compound 19)
Show SMILES CC(Oc1ccccc1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H26N2O3/c1-16(26-20-9-3-2-4-10-20)21(25)22-13-19(24)15-23-12-11-17-7-5-6-8-18(17)14-23/h2-10,16,19,24H,11-15H2,1H3,(H,22,25)
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM336974
PNG
(US9745291, Compound 20 | US9765068, Compound 20)
Show SMILES COc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C21H26N2O4/c1-26-19-7-4-8-20(11-19)27-15-21(25)22-12-18(24)14-23-10-9-16-5-2-3-6-17(16)13-23/h2-8,11,18,24H,9-10,12-15H2,1H3,(H,22,25)
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337034
PNG
(US9745291, Compound 80 | US9765068, Compound 80)
Show SMILES CN1C(=O)COc2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12
Show InChI InChI=1S/C23H27N3O5/c1-25-22(29)15-31-20-8-4-7-19(23(20)25)30-14-21(28)24-11-18(27)13-26-10-9-16-5-2-3-6-17(16)12-26/h2-8,18,27H,9-15H2,1H3,(H,24,28)
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337047
PNG
(US9745291, Compound 93 | US9765068, Compound 93)
Show SMILES OC(CNC(=O)COc1cccc(NC2CCOCC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H33N3O4/c29-23(17-28-11-8-19-4-1-2-5-20(19)16-28)15-26-25(30)18-32-24-7-3-6-22(14-24)27-21-9-12-31-13-10-21/h1-7,14,21,23,27,29H,8-13,15-18H2,(H,26,30)
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

UniProtKB/SwissProt

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UniChem
US Patent
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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US Patent
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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US Patent
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


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

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US Patent
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337169
PNG
(US9745291, Compound 215)
Show SMILES NC1CN(CC1O)S(=O)(=O)c1ccccc1OCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H32N4O6S/c25-20-14-28(15-21(20)30)35(32,33)23-8-4-3-7-22(23)34-16-24(31)26-11-19(29)13-27-10-9-17-5-1-2-6-18(17)12-27/h1-8,19-21,29-30H,9-16,25H2,(H,26,31)/t19-,20?,21?/m1/s1
PDB

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PC sid
UniChem
US Patent
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337180
PNG
(US9745291, Compound 226)
Show SMILES O[C@@H](CNC(=O)CCc1nc2cc(Cl)ccc2[nH]1)CN1CCc2ccccc2C1
PDB

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PC cid
PC sid
UniChem
US Patent
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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337206
PNG
(US9745291, Compound 253)
Show SMILES O[C@@H](CNC(=O)COc1ccccc1C1CCCCN1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H33N3O3/c29-21(17-28-14-12-19-7-1-2-8-20(19)16-28)15-27-25(30)18-31-24-11-4-3-9-22(24)23-10-5-6-13-26-23/h1-4,7-9,11,21,23,26,29H,5-6,10,12-18H2,(H,27,30)/t21-,23?/m0/s1
PDB

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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 US9745291 (2017)

More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM337019
PNG
(US9745291, Compound 65 | US9765068, Compound 65)
Show SMILES NS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C20H25N3O5S/c21-29(26,27)19-8-4-3-7-18(19)28-14-20(25)22-11-17(24)13-23-10-9-15-5-1-2-6-16(15)12-23/h1-8,17,24H,9-14H2,(H,22,25)(H2,21,26,27)
PDB

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US Patent
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 US9745291 (2017)

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