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Patent code US10307413

Compile Data Set for Download or QSAR

Found 679 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


(Homo sapiens (Human))
BDBM176912
PNG
(US10307413, Compound 66 | US9675614, 66)
Show SMILES OC(CNC(=O)c1ccc(NC2CCOCC2)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1/C24H31N3O3/c28-23(17-27-12-9-18-3-1-2-4-20(18)16-27)15-25-24(29)19-5-7-21(8-6-19)26-22-10-13-30-14-11-22/h1-8,22-23,26,28H,9-17H2,(H,25,29)
PDB

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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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM176974
PNG
(US10307413, Compound 102 | US9675614, 102)
Show SMILES OC(CNC(=O)c1cccc(NC2CCN(CC(F)(F)F)C2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1/C25H31F3N4O2/c26-25(27,28)17-32-11-9-22(15-32)30-21-7-3-6-19(12-21)24(34)29-13-23(33)16-31-10-8-18-4-1-2-5-20(18)14-31/h1-7,12,22-23,30,33H,8-11,13-17H2,(H,29,34)
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM176975
PNG
(US10307413, Compound 103 | US9675614, 103)
Show SMILES CC(C)N1CCC(CC1)Nc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1/C27H38N4O2/c1-20(2)31-14-11-24(12-15-31)29-25-9-5-8-22(16-25)27(33)28-17-26(32)19-30-13-10-21-6-3-4-7-23(21)18-30/h3-9,16,20,24,26,29,32H,10-15,17-19H2,1-2H3,(H,28,33)
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM176978
PNG
(US10307413, Compound 104 | US9675614, 104)
Show SMILES OC(CNC(=O)c1ccc(OC2CCNCC2)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1/C24H31N3O3/c28-21(17-27-14-11-18-3-1-2-4-20(18)16-27)15-26-24(29)19-5-7-22(8-6-19)30-23-9-12-25-13-10-23/h1-8,21,23,25,28H,9-17H2,(H,26,29)
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM176991
PNG
(US10307413, Compound 109 | US9675614, 109)
Show SMILES OC(CNC(=O)c1ccc(OC2CCN(CC(F)(F)F)CC2)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1/C26H32F3N3O3/c27-26(28,29)18-31-13-10-24(11-14-31)35-23-7-5-20(6-8-23)25(34)30-15-22(33)17-32-12-9-19-3-1-2-4-21(19)16-32/h1-8,22,24,33H,9-18H2,(H,30,34)
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM177001
PNG
(US10307413, Compound 118 | US9675614, 118)
Show SMILES CN(C)C(=O)CNCc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1/C24H32N4O3/c1-27(2)23(30)15-25-13-18-6-5-9-20(12-18)24(31)26-14-22(29)17-28-11-10-19-7-3-4-8-21(19)16-28/h3-9,12,22,25,29H,10-11,13-17H2,1-2H3,(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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM177016
PNG
(US10307413, Compound 130 | US9675614, 130)
Show SMILES OC(CNC(=O)c1cccc(c1)-n1cncn1)CN1CCc2ccccc2C1
Show InChI InChI=1/C21H23N5O2/c27-20(13-25-9-8-16-4-1-2-5-18(16)12-25)11-23-21(28)17-6-3-7-19(10-17)26-15-22-14-24-26/h1-7,10,14-15,20,27H,8-9,11-13H2,(H,23,28)
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM177003
PNG
(US10307413, Compound 134 | US9675614, 120 | US9675...)
Show SMILES CN1CCC(C1)Oc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1/C24H31N3O3/c1-26-11-10-23(17-26)30-22-8-4-7-19(13-22)24(29)25-14-21(28)16-27-12-9-18-5-2-3-6-20(18)15-27/h2-8,13,21,23,28H,9-12,14-17H2,1H3,(H,25,29)
PDB

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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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM177696
PNG
(US10307413, Compound 137 | US9675614, 137)
Show SMILES OC(CNC(=O)c1cccc(OC2CCN(CC(F)(F)F)C2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1/C25H30F3N3O3/c26-25(27,28)17-31-11-9-23(16-31)34-22-7-3-6-19(12-22)24(33)29-13-21(32)15-30-10-8-18-4-1-2-5-20(18)14-30/h1-7,12,21,23,32H,8-11,13-17H2,(H,29,33)
PDB

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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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM177720
PNG
(US10307413, Compound 152 | US9675614, 138 | US9675...)
Show SMILES OC(CNC(=O)c1ccc(NC2CCNCC2)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1/C24H32N4O2/c29-23(17-28-14-11-18-3-1-2-4-20(18)16-28)15-26-24(30)19-5-7-21(8-6-19)27-22-9-12-25-13-10-22/h1-8,22-23,25,27,29H,9-17H2,(H,26,30)
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM177740
PNG
(US10307413, Compound 158 | US9675614, 158)
Show SMILES OC(CNC(=O)c1cccc(CN2CCN(CCCC(O)=O)CC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1/C28H38N4O4/c33-26(21-32-12-10-23-6-1-2-7-25(23)20-32)18-29-28(36)24-8-3-5-22(17-24)19-31-15-13-30(14-16-31)11-4-9-27(34)35/h1-3,5-8,17,26,33H,4,9-16,18-21H2,(H,29,36)(H,34,35)
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM177908
PNG
(US10307413, Compound 162 | US9675614, 162)
Show SMILES CS(=O)(=O)N1CCC(C1)Oc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1/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)
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM178084
PNG
(US10307413, Compound 187 | US9675614, 187)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NCC2CC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1/C22H28N4O2/c27-20(15-26-10-8-17-3-1-2-4-19(17)14-26)13-25-22(28)18-7-9-23-21(11-18)24-12-16-5-6-16/h1-4,7,9,11,16,20,27H,5-6,8,10,12-15H2,(H,23,24)(H,25,28)/t20-/s2
PDB

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PC cid
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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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM178896
PNG
(US10307413, Compound 221 | US9675614, 221)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1/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-/s2
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM178911
PNG
(US10307413, Compound 236 | US9675614, 236)
Show SMILES O[C@@H](CNC(=O)c1ccnc(NCC2CCCNC2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1/C24H33N5O2/c30-22(17-29-11-8-19-5-1-2-6-21(19)16-29)15-28-24(31)20-7-10-26-23(12-20)27-14-18-4-3-9-25-13-18/h1-2,5-7,10,12,18,22,25,30H,3-4,8-9,11,13-17H2,(H,26,27)(H,28,31)/t18?,22-/s2
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM179186
PNG
(US10307413, Compound 249 | US9675614, 249)
Show SMILES O[C@@H](CNC(=O)c1cccc2OCCOc12)CN1CCc2ccccc2C1
Show InChI InChI=1/C21H24N2O4/c24-17(14-23-9-8-15-4-1-2-5-16(15)13-23)12-22-21(25)18-6-3-7-19-20(18)27-11-10-26-19/h1-7,17,24H,8-14H2,(H,22,25)/t17-/s2
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM179195
PNG
(US10307413, Compound 258 | US9675614, 258)
Show SMILES O[C@@H](CNC(=O)c1cc(OC2CCNCC2)ncn1)CN1CCc2ccccc2C1
Show InChI InChI=1/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-/s2
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM179208
PNG
(US10307413, Compound 262 | US9675614, 262)
Show SMILES CN(CCNc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)S(C)(=O)=O
Show InChI InChI=1/C22H31N5O4S/c1-26(32(2,30)31)12-10-24-21-13-18(7-9-23-21)22(29)25-14-20(28)16-27-11-8-17-5-3-4-6-19(17)15-27/h3-7,9,13,20,28H,8,10-12,14-16H2,1-2H3,(H,23,24)(H,25,29)/t20-/s2
PDB

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UniChem
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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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM179216
PNG
(US10307413, Compound 266 | US9675614, 266)
Show SMILES CC(=O)N1CC[C@@H](C1)Nc1cccc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1/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-/s2
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM179221
PNG
(US10307413, Compound 271 | US9675614, 271)
Show SMILES O[C@@H](CNC(=O)c1cc2ccccc2o1)CN1CCc2ccccc2C1
Show InChI InChI=1/C21H22N2O3/c24-18(14-23-10-9-15-5-1-2-7-17(15)13-23)12-22-21(25)20-11-16-6-3-4-8-19(16)26-20/h1-8,11,18,24H,9-10,12-14H2,(H,22,25)/t18-/s2
PDB

GoogleScholar
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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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM179222
PNG
(US10307413, Compound 272 | US9675614, 272)
Show SMILES O[C@@H](CNC(=O)c1nccc2ccccc12)CN1CCc2ccccc2C1
Show InChI InChI=1/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-/s2
PDB

GoogleScholar
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM179245
PNG
(US10307413, Compound 286 | US9675614, 286)
Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1/C23H31N5O5S/c1-34(31,32)28-10-7-20(8-11-28)33-22-12-21(25-16-26-22)23(30)24-13-19(29)15-27-9-6-17-4-2-3-5-18(17)14-27/h2-5,12,16,19-20,29H,6-11,13-15H2,1H3,(H,24,30)/t19-/s2
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM179257
PNG
(US10307413, Compound 295 | US9675614, 295)
Show SMILES O[C@@H](CNC(=O)c1cccc2ccccc12)CN1CCc2ccccc2C1
Show InChI InChI=1/C23H24N2O2/c26-20(16-25-13-12-17-6-1-2-8-19(17)15-25)14-24-23(27)22-11-5-9-18-7-3-4-10-21(18)22/h1-11,20,26H,12-16H2,(H,24,27)/t20-/s2
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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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM179377
PNG
(US10307413, Compound 301 | US9675614, 301)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1cncc(c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1/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-/s2
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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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM179397
PNG
(US10307413, Compound 318 | US9675614, 318)
Show SMILES O[C@@H](CNC(=O)c1ccc2cc(O)ccc2c1)CN1CCc2ccccc2C1
Show InChI InChI=1/C23H24N2O3/c26-21-8-7-17-11-19(6-5-18(17)12-21)23(28)24-13-22(27)15-25-10-9-16-3-1-2-4-20(16)14-25/h1-8,11-12,22,26-27H,9-10,13-15H2,(H,24,28)/t22-/s2
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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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM179431
PNG
(US10307413, Compound 331 | US9675614, 331)
Show SMILES O[C@@H](CNC(=O)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1/C30H36N4O3/c35-27(22-34-16-11-24-3-1-2-4-26(24)21-34)19-32-30(36)25-5-7-28(8-6-25)37-29-12-17-33(18-13-29)20-23-9-14-31-15-10-23/h1-10,14-15,27,29,35H,11-13,16-22H2,(H,32,36)/t27-/s2
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM179434
PNG
(US10307413, Compound 332 | US9675614, 332)
Show SMILES COc1cc(cc(NC2CCC2)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1/C23H30N4O3/c1-30-22-12-18(11-21(26-22)25-19-7-4-8-19)23(29)24-13-20(28)15-27-10-9-16-5-2-3-6-17(16)14-27/h2-3,5-6,11-12,19-20,28H,4,7-10,13-15H2,1H3,(H,24,29)(H,25,26)/t20-/s2
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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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM177922
PNG
(US10307413, Compound 337 | US9675614, 166)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2COC2)ncn1)CN1CCc2ccccc2C1
Show InChI InChI=1/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/s2
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 US10307413 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394702
PNG
(US10307413, Compound 346)
Show SMILES CCN1CCC(CC1)Oc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H35N3O3/c1-2-28-15-12-25(13-16-28)32-24-9-7-21(8-10-24)26(31)27-17-23(30)19-29-14-11-20-5-3-4-6-22(20)18-29/h3-10,23,25,30H,2,11-19H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


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


US Patent US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394725
PNG
(US10307413, Compound 369)
Show SMILES COCCNCCOc1ccc2cc(ccc2c1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C28H35N3O4/c1-34-14-11-29-12-15-35-27-9-8-22-16-24(7-6-23(22)17-27)28(33)30-18-26(32)20-31-13-10-21-4-2-3-5-25(21)19-31/h2-9,16-17,26,29,32H,10-15,18-20H2,1H3,(H,30,33)/t26-/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394735
PNG
(US10307413, Compound 379)
Show SMILES Cc1cnc(NC2CN(C2)S(C)(=O)=O)cc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H31N5O4S/c1-16-10-24-22(26-19-13-28(14-19)33(2,31)32)9-21(16)23(30)25-11-20(29)15-27-8-7-17-5-3-4-6-18(17)12-27/h3-6,9-10,19-20,29H,7-8,11-15H2,1-2H3,(H,24,26)(H,25,30)/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394737
PNG
(US10307413, Compound 381)
Show SMILES O[C@@H](CNC(=O)c1ccnc(Nc2cc[nH]n2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1/C21H24N6O2/c28-18(14-27-10-7-15-3-1-2-4-17(15)13-27)12-23-21(29)16-5-8-22-20(11-16)25-19-6-9-24-26-19/h1-6,8-9,11,18,28H,7,10,12-14H2,(H,23,29)(H2,22,24,25,26)/t18-/s2
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394744
PNG
(US10307413, Compound 388)
Show SMILES O[C@@H](CNC(=O)c1ccc(OCCN2CCC2)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H31N3O3/c28-22(18-27-13-10-19-4-1-2-5-21(19)17-27)16-25-24(29)20-6-8-23(9-7-20)30-15-14-26-11-3-12-26/h1-2,4-9,22,28H,3,10-18H2,(H,25,29)/t22-/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


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


US Patent US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394747
PNG
(US10307413, Compound 391)
Show SMILES CCNCCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H31N3O3/c1-2-24-12-14-29-22-9-7-19(8-10-22)23(28)25-15-21(27)17-26-13-11-18-5-3-4-6-20(18)16-26/h3-10,21,24,27H,2,11-17H2,1H3,(H,25,28)/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394748
PNG
(US10307413, Compound 392)
Show SMILES CNCCCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H31N3O3/c1-24-12-4-14-29-22-9-7-19(8-10-22)23(28)25-15-21(27)17-26-13-11-18-5-2-3-6-20(18)16-26/h2-3,5-10,21,24,27H,4,11-17H2,1H3,(H,25,28)/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394752
PNG
(US10307413, Compound 396)
Show SMILES CCNCCCOc1ccc(cc1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H33N3O3/c1-2-25-13-5-15-30-23-10-8-20(9-11-23)24(29)26-16-22(28)18-27-14-12-19-6-3-4-7-21(19)17-27/h3-4,6-11,22,25,28H,2,5,12-18H2,1H3,(H,26,29)/t22-/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394767
PNG
(US10307413, Compound 411)
Show SMILES CN1CCCCC1CNc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H35N5O2/c1-29-12-5-4-8-22(29)15-27-24-14-20(9-11-26-24)25(32)28-16-23(31)18-30-13-10-19-6-2-3-7-21(19)17-30/h2-3,6-7,9,11,14,22-23,31H,4-5,8,10,12-13,15-18H2,1H3,(H,26,27)(H,28,32)/t22?,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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394780
PNG
(US10307413, Compound 425)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2CN(C2)C(=O)C2CC2)ncn1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H30N6O3/c31-20(14-29-8-7-16-3-1-2-4-18(16)11-29)10-25-23(32)21-9-22(27-15-26-21)28-19-12-30(13-19)24(33)17-5-6-17/h1-4,9,15,17,19-20,31H,5-8,10-14H2,(H,25,32)(H,26,27,28)/t20-/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394782
PNG
(US10307413, Compound 430)
Show SMILES CC1(C)CC(CC(C)(C)N1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H38N6O2/c1-25(2)12-20(13-26(3,4)31-25)30-23-11-22(28-17-29-23)24(34)27-14-21(33)16-32-10-9-18-7-5-6-8-19(18)15-32/h5-8,11,17,20-21,31,33H,9-10,12-16H2,1-4H3,(H,27,34)(H,28,29,30)/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394788
PNG
(US10307413, Compound 436)
Show SMILES O[C@@H](CNC(=O)c1cccc(NC2COC2)n1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H26N4O3/c26-18(12-25-9-8-15-4-1-2-5-16(15)11-25)10-22-21(27)19-6-3-7-20(24-19)23-17-13-28-14-17/h1-7,17-18,26H,8-14H2,(H,22,27)(H,23,24)/t18-/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394789
PNG
(US10307413, Compound 437)
Show SMILES O[C@@H](CNC(=O)c1ncnc(NC2COC2)c1Cl)CN1CCc2ccccc2C1
Show InChI InChI=1S/C20H24ClN5O3/c21-17-18(23-12-24-19(17)25-15-10-29-11-15)20(28)22-7-16(27)9-26-6-5-13-3-1-2-4-14(13)8-26/h1-4,12,15-16,27H,5-11H2,(H,22,28)(H,23,24,25)/t16-/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394794
PNG
(US10307413, Compound 442)
Show SMILES CN1CCN(CC1)c1nc(NC2CN(C2)C(C)=O)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C27H38N8O3/c1-19(36)35-16-22(17-35)29-25-13-24(30-27(31-25)34-11-9-32(2)10-12-34)26(38)28-14-23(37)18-33-8-7-20-5-3-4-6-21(20)15-33/h3-6,13,22-23,37H,7-12,14-18H2,1-2H3,(H,28,38)(H,29,30,31)/t23-/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394797
PNG
(US10307413, Compound 445)
Show SMILES C[C@H](N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N6O2/c1-15(23(24,25)26)32-11-18(12-32)30-21-8-20(28-14-29-21)22(34)27-9-19(33)13-31-7-6-16-4-2-3-5-17(16)10-31/h2-5,8,14-15,18-19,33H,6-7,9-13H2,1H3,(H,27,34)(H,28,29,30)/t15-,19-/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394802
PNG
(US10307413, Compound 450)
Show SMILES CC(=O)N1CC(C1)Nc1cc(nc(C)n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H30N6O3/c1-15-25-21(9-22(26-15)27-19-12-29(13-19)16(2)30)23(32)24-10-20(31)14-28-8-7-17-5-3-4-6-18(17)11-28/h3-6,9,19-20,31H,7-8,10-14H2,1-2H3,(H,24,32)(H,25,26,27)/t20-/m0/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394805
PNG
(US10307413, Compound 453)
Show SMILES O[C@@H](CNC(=O)c1cc(NC2CNC2)nc(n1)N1CCNCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H34N8O2/c33-20(16-31-8-5-17-3-1-2-4-18(17)15-31)14-27-23(34)21-11-22(28-19-12-26-13-19)30-24(29-21)32-9-6-25-7-10-32/h1-4,11,19-20,25-26,33H,5-10,12-16H2,(H,27,34)(H,28,29,30)/t20-/m0/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394806
PNG
(US10307413, Compound 454)
Show SMILES CCC(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H35N5O3/c1-2-25(33)31-13-9-22(10-14-31)29-24-15-20(7-11-27-24)26(34)28-16-23(32)18-30-12-8-19-5-3-4-6-21(19)17-30/h3-7,11,15,22-23,32H,2,8-10,12-14,16-18H2,1H3,(H,27,29)(H,28,34)/t23-/m0/s1
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394817
PNG
(US10307413, Compound 465)
Show SMILES COc1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H27N5O4/c1-29-21-24-18(8-19(25-21)23-16-12-30-13-16)20(28)22-9-17(27)11-26-7-6-14-4-2-3-5-15(14)10-26/h2-5,8,16-17,27H,6-7,9-13H2,1H3,(H,22,28)(H,23,24,25)/t17-/m0/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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394822
PNG
(US10307413, Compound 470)
Show SMILES CC(C)(C)C(=O)N1CCC(CC1)Nc1cc(ccn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C28H39N5O3/c1-28(2,3)27(36)33-14-10-23(11-15-33)31-25-16-21(8-12-29-25)26(35)30-17-24(34)19-32-13-9-20-6-4-5-7-22(20)18-32/h4-8,12,16,23-24,34H,9-11,13-15,17-19H2,1-3H3,(H,29,31)(H,30,35)/t24-/m0/s1
PDB

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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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394828
PNG
(US10307413, Compound 476)
Show SMILES CNCCN(C)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H35N7O3/c1-25-8-10-30(2)24-28-21(11-22(29-24)27-19-15-34-16-19)23(33)26-12-20(32)14-31-9-7-17-5-3-4-6-18(17)13-31/h3-6,11,19-20,25,32H,7-10,12-16H2,1-2H3,(H,26,33)(H,27,28,29)/t20-/m0/s1
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 US10307413 (2019)

More data for this
Ligand-Target Pair
PRMT5/MeP50


(Homo sapiens (Human))
BDBM394829
PNG
(US10307413, Compound 477)
Show SMILES CCN1CCN(CC1)c1nc(NC2COC2)cc(n1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H37N7O3/c1-2-31-9-11-33(12-10-31)26-29-23(13-24(30-26)28-21-17-36-18-21)25(35)27-14-22(34)16-32-8-7-19-5-3-4-6-20(19)15-32/h3-6,13,21-22,34H,2,7-12,14-18H2,1H3,(H,27,35)(H,28,29,30)/t22-/m0/s1
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 US10307413 (2019)

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