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Patent code US9777008

Compile Data Set for Download or QSAR

Found 310 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))
BDBM343935
PNG
(US9777008, Compound 229)
Show SMILES OC(CNc1cc(ccn1)-c1ccc2ncn(C3CNC3)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C27H30N6O/c34-24(17-32-10-8-19-3-1-2-4-22(19)16-32)15-30-27-12-21(7-9-29-27)20-5-6-25-26(11-20)33(18-31-25)23-13-28-14-23/h1-7,9,11-12,18,23-24,28,34H,8,10,13-17H2,(H,29,30)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343814
PNG
(US9777008, Compound 108)
Show SMILES Cn1ncc2cc(ccc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C26H27N3O2/c1-28-26-10-9-21(13-23(26)15-27-28)20-7-4-8-25(14-20)31-18-24(30)17-29-12-11-19-5-2-3-6-22(19)16-29/h2-10,13-15,24,30H,11-12,16-18H2,1H3
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343753
PNG
(US9777008, Compound 47)
Show SMILES OC(COc1ccc(cc1)C1CCCNC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H30N2O2/c26-22(16-25-13-11-18-4-1-2-5-21(18)15-25)17-27-23-9-7-19(8-10-23)20-6-3-12-24-14-20/h1-2,4-5,7-10,20,22,24,26H,3,6,11-17H2
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343824
PNG
(1-(3,4-Dihydroisoquinolin-2(1H)-yl)-3-((4-(1-methy...)
Show SMILES Cn1cnc2ccc(cc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H27N5O/c1-29-17-28-23-7-6-19(12-24(23)29)20-8-10-26-25(13-20)27-14-22(31)16-30-11-9-18-4-2-3-5-21(18)15-30/h2-8,10,12-13,17,22,31H,9,11,14-16H2,1H3,(H,26,27)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343847
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(7-methyl...)
Show SMILES Cn1ccc2cnc(nc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H26N4O2/c1-28-11-9-20-14-26-24(27-25(20)28)19-7-4-8-23(13-19)31-17-22(30)16-29-12-10-18-5-2-3-6-21(18)15-29/h2-9,11,13-14,22,30H,10,12,15-17H2,1H3
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343915
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1-(pyrro...)
Show SMILES OC(COc1cccc(c1)-c1ccc2ncn(C3CCNC3)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C29H32N4O2/c34-26(18-32-13-11-21-4-1-2-5-24(21)17-32)19-35-27-7-3-6-22(14-27)23-8-9-28-29(15-23)33(20-31-28)25-10-12-30-16-25/h1-9,14-15,20,25-26,30,34H,10-13,16-19H2
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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343926
PNG
(US9777008, Compound 220)
Show SMILES OC(COc1cccc(c1)-c1ccc2ncn(C3CCNCC3)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C30H34N4O2/c35-27(19-33-15-12-22-4-1-2-5-25(22)18-33)20-36-28-7-3-6-23(16-28)24-8-9-29-30(17-24)34(21-32-29)26-10-13-31-14-11-26/h1-9,16-17,21,26-27,31,35H,10-15,18-20H2
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343927
PNG
(US9777008, Compound 221)
Show SMILES CN1CCC(CC1)n1cnc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C31H36N4O2/c1-33-14-12-27(13-15-33)35-22-32-30-10-9-25(18-31(30)35)24-7-4-8-29(17-24)37-21-28(36)20-34-16-11-23-5-2-3-6-26(23)19-34/h2-10,17-18,22,27-28,36H,11-16,19-21H2,1H3
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343940
PNG
(2-(2-(2-((3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hy...)
Show SMILES OC(CNc1cc(ccn1)-c1ncc2ccn(CC(=O)N3CCOCC3)c2n1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C29H33N7O3/c37-25(19-34-9-6-21-3-1-2-4-24(21)18-34)17-31-26-15-22(5-8-30-26)28-32-16-23-7-10-36(29(23)33-28)20-27(38)35-11-13-39-14-12-35/h1-5,7-8,10,15-16,25,37H,6,9,11-14,17-20H2,(H,30,31)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343945
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((4-(7-methy...)
Show SMILES Cn1ccc2cnc(nc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C24H26N6O/c1-29-10-7-19-13-27-23(28-24(19)29)18-6-9-25-22(12-18)26-14-21(31)16-30-11-8-17-4-2-3-5-20(17)15-30/h2-7,9-10,12-13,21,31H,8,11,14-16H2,1H3,(H,25,26)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343946
PNG
(US9777008, Compound 240)
Show SMILES OC(CNc1cc(ccn1)-c1ccc2ncn(C3CCNC3)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C28H32N6O/c35-25(18-33-12-9-20-3-1-2-4-23(20)17-33)16-31-28-14-22(7-11-30-28)21-5-6-26-27(13-21)34(19-32-26)24-8-10-29-15-24/h1-7,11,13-14,19,24-25,29,35H,8-10,12,15-18H2,(H,30,31)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343953
PNG
(US9777008, Compound 247)
Show SMILES CN1CCN(CC1)C(=O)Cn1ccc2cnc(nc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C30H36N8O2/c1-35-12-14-37(15-13-35)28(40)21-38-11-8-24-17-33-29(34-30(24)38)23-6-9-31-27(16-23)32-18-26(39)20-36-10-7-22-4-2-3-5-25(22)19-36/h2-6,8-9,11,16-17,26,39H,7,10,12-15,18-21H2,1H3,(H,31,32)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343962
PNG
(US9777008, Compound 256)
Show SMILES CC(=O)N1CCC(CC1)n1ccc2cnc(nc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C30H35N7O2/c1-21(38)36-13-9-26(10-14-36)37-15-8-24-17-33-29(34-30(24)37)23-6-11-31-28(16-23)32-18-27(39)20-35-12-7-22-4-2-3-5-25(22)19-35/h2-6,8,11,15-17,26-27,39H,7,9-10,12-14,18-20H2,1H3,(H,31,32)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343979
PNG
(N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypr...)
Show SMILES CC(=O)N(CC(O)CN1CCc2ccccc2C1)c1cccc(c1)-c1ccc2ncn(C)c2c1
Show InChI InChI=1S/C28H30N4O2/c1-20(33)32(18-26(34)17-31-13-12-21-6-3-4-7-24(21)16-31)25-9-5-8-22(14-25)23-10-11-27-28(15-23)30(2)19-29-27/h3-11,14-15,19,26,34H,12-13,16-18H2,1-2H3
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343981
PNG
(US9777008, Compound 275)
Show SMILES Cn1cnc2ccc(cc12)-c1ccnc(NC[C@H](O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H27N5O/c1-29-17-28-23-7-6-19(12-24(23)29)20-8-10-26-25(13-20)27-14-22(31)16-30-11-9-18-4-2-3-5-21(18)15-30/h2-8,10,12-13,17,22,31H,9,11,14-16H2,1H3,(H,26,27)/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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343956
PNG
(US9777008, Compound 250)
Show SMILES CN1CCC(C1)n1cnc2ccc(cc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C29H34N6O/c1-33-12-10-25(18-33)35-20-32-27-7-6-22(14-28(27)35)23-8-11-30-29(15-23)31-16-26(36)19-34-13-9-21-4-2-3-5-24(21)17-34/h2-8,11,14-15,20,25-26,36H,9-10,12-13,16-19H2,1H3,(H,30,31)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343933
PNG
(US9777008, Compound 227)
Show SMILES Cn1ccc2ccc(cc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C26H28N4O/c1-29-12-9-20-6-7-21(14-25(20)29)22-8-11-27-26(15-22)28-16-24(31)18-30-13-10-19-4-2-3-5-23(19)17-30/h2-9,11-12,14-15,24,31H,10,13,16-18H2,1H3,(H,27,28)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343936
PNG
(US9777008, Compound 230)
Show SMILES CN1CC(C1)n1cnc2ccc(cc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C28H32N6O/c1-32-16-24(17-32)34-19-31-26-7-6-21(12-27(26)34)22-8-10-29-28(13-22)30-14-25(35)18-33-11-9-20-4-2-3-5-23(20)15-33/h2-8,10,12-13,19,24-25,35H,9,11,14-18H2,1H3,(H,29,30)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343947
PNG
(US9777008, Compound 241)
Show SMILES OC(CNc1cc(ccn1)-c1ccc2ncn(C3CCNCC3)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C29H34N6O/c36-26(19-34-14-10-21-3-1-2-4-24(21)18-34)17-32-29-16-23(7-13-31-29)22-5-6-27-28(15-22)35(20-33-27)25-8-11-30-12-9-25/h1-7,13,15-16,20,25-26,30,36H,8-12,14,17-19H2,(H,31,32)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343958
PNG
(US9777008, Compound 252)
Show SMILES CN1CCC(CC1)n1cnc2ccc(cc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C30H36N6O/c1-34-13-10-26(11-14-34)36-21-33-28-7-6-23(16-29(28)36)24-8-12-31-30(17-24)32-18-27(37)20-35-15-9-22-4-2-3-5-25(22)19-35/h2-8,12,16-17,21,26-27,37H,9-11,13-15,18-20H2,1H3,(H,31,32)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343959
PNG
(US9777008, Compound 253)
Show SMILES OC(COc1cccc(c1)-c1ncc2ccn(C3CCNCC3)c2n1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C29H33N5O2/c35-26(19-33-14-10-21-4-1-2-5-24(21)18-33)20-36-27-7-3-6-22(16-27)28-31-17-23-11-15-34(29(23)32-28)25-8-12-30-13-9-25/h1-7,11,15-17,25-26,30,35H,8-10,12-14,18-20H2
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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343961
PNG
(US9777008, Compound 255)
Show SMILES OC(CNc1cc(ccn1)-c1ncc2ccn(C3CCNCC3)c2n1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C28H33N7O/c36-25(19-34-13-8-20-3-1-2-4-23(20)18-34)17-31-26-15-21(5-12-30-26)27-32-16-22-9-14-35(28(22)33-27)24-6-10-29-11-7-24/h1-5,9,12,14-16,24-25,29,36H,6-8,10-11,13,17-19H2,(H,30,31)
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Epizyme, Inc.

US Patent


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


US Patent US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343751
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1-methyl...)
Show SMILES Cn1cnc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C26H27N3O2/c1-28-18-27-25-10-9-21(14-26(25)28)20-7-4-8-24(13-20)31-17-23(30)16-29-12-11-19-5-2-3-6-22(19)15-29/h2-10,13-14,18,23,30H,11-12,15-17H2,1H3
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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343808
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((3-(1-methy...)
Show SMILES Cn1cnc2ccc(cc12)-c1cccc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C26H28N4O/c1-29-18-28-25-10-9-21(14-26(25)29)20-7-4-8-23(13-20)27-15-24(31)17-30-12-11-19-5-2-3-6-22(19)16-30/h2-10,13-14,18,24,27,31H,11-12,15-17H2,1H3
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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343895
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(3-methyl...)
Show SMILES Cn1cnc2ccc(nc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H26N4O2/c1-28-17-26-24-10-9-23(27-25(24)28)19-7-4-8-22(13-19)31-16-21(30)15-29-12-11-18-5-2-3-6-20(18)14-29/h2-10,13,17,21,30H,11-12,14-16H2,1H3
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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343972
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(3-methyl...)
Show SMILES Cc1ncc2ccc(cn12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C26H27N3O2/c1-19-27-14-24-10-9-23(16-29(19)24)21-7-4-8-26(13-21)31-18-25(30)17-28-12-11-20-5-2-3-6-22(20)15-28/h2-10,13-14,16,25,30H,11-12,15,17-18H2,1H3
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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343771
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(quinolin...)
Show SMILES OC(COc1cccc(c1)-c1cccc2cccnc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C27H26N2O2/c30-24(18-29-15-13-20-6-1-2-7-23(20)17-29)19-31-25-11-3-9-22(16-25)26-12-4-8-21-10-5-14-28-27(21)26/h1-12,14,16,24,30H,13,15,17-19H2
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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343880
PNG
(US9777008, Compound 174)
Show SMILES Cn1cnc2ccc(cc12)-c1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C26H27N3O2/c1-28-18-27-25-10-9-21(14-26(25)28)20-7-4-8-24(13-20)31-17-23(30)16-29-12-11-19-5-2-3-6-22(19)15-29/h2-10,13-14,18,23,30H,11-12,15-17H2,1H3/t23-/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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343924
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1-(1-met...)
Show SMILES CN1CC(C1)n1cnc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C29H32N4O2/c1-31-16-25(17-31)33-20-30-28-10-9-23(14-29(28)33)22-7-4-8-27(13-22)35-19-26(34)18-32-12-11-21-5-2-3-6-24(21)15-32/h2-10,13-14,20,25-26,34H,11-12,15-19H2,1H3
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343929
PNG
(1-(3-(1H-benzo[d]imidazol-4-yl)phenoxy)-3-(3,4-dih...)
Show SMILES OC(COc1cccc(c1)-c1cccc2[nH]cnc12)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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343932
PNG
(US9777008, Compound 226)
Show SMILES Cn1ncc2ccc(cc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H27N5O/c1-29-24-12-19(6-7-21(24)14-28-29)20-8-10-26-25(13-20)27-15-23(31)17-30-11-9-18-4-2-3-5-22(18)16-30/h2-8,10,12-14,23,31H,9,11,15-17H2,1H3,(H,26,27)
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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343939
PNG
(US9777008, Compound 233)
Show SMILES OC(CNc1cc(ccn1)-c1ncc2ccn(CC(=O)N3CCCC3)c2n1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C29H33N7O2/c37-25(19-34-13-8-21-5-1-2-6-24(21)18-34)17-31-26-15-22(7-10-30-26)28-32-16-23-9-14-36(29(23)33-28)20-27(38)35-11-3-4-12-35/h1-2,5-7,9-10,14-16,25,37H,3-4,8,11-13,17-20H2,(H,30,31)
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Epizyme, Inc.

US Patent


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


US Patent US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343942
PNG
(US9777008, Compound 236)
Show SMILES Cn1cc2ccc(cc2n1)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H27N5O/c1-29-15-22-7-6-19(12-24(22)28-29)20-8-10-26-25(13-20)27-14-23(31)17-30-11-9-18-4-2-3-5-21(18)16-30/h2-8,10,12-13,15,23,31H,9,11,14,16-17H2,1H3,(H,26,27)
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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343951
PNG
(US9777008, Compound 245)
Show SMILES CNC(=O)Cn1ccc2cnc(nc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C26H29N7O2/c1-27-24(35)17-33-11-8-20-13-30-25(31-26(20)33)19-6-9-28-23(12-19)29-14-22(34)16-32-10-7-18-4-2-3-5-21(18)15-32/h2-6,8-9,11-13,22,34H,7,10,14-17H2,1H3,(H,27,35)(H,28,29)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343971
PNG
(US9777008, Compound 265)
Show SMILES OC(CNc1cc(ccn1)-c1ccc2ncn(C3COC3)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C27H29N5O2/c33-24(15-31-10-8-19-3-1-2-4-22(19)14-31)13-29-27-12-21(7-9-28-27)20-5-6-25-26(11-20)32(18-30-25)23-16-34-17-23/h1-7,9,11-12,18,23-24,33H,8,10,13-17H2,(H,28,29)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343811
PNG
(1-(3-(1-benzyl-1H-benzo[d]imidazol-6-yl)phenoxy)-3...)
Show SMILES OC(COc1cccc(c1)-c1ccc2ncn(Cc3ccccc3)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C32H31N3O2/c36-29(21-34-16-15-25-9-4-5-10-28(25)20-34)22-37-30-12-6-11-26(17-30)27-13-14-31-32(18-27)35(23-33-31)19-24-7-2-1-3-8-24/h1-14,17-18,23,29,36H,15-16,19-22H2
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343822
PNG
(US9777008, Compound 116)
Show SMILES CN(CC(O)CN1CCc2ccccc2C1)c1cccc(CNC2CCOCC2)c1
Show InChI InChI=1S/C25H35N3O2/c1-27(18-25(29)19-28-12-9-21-6-2-3-7-22(21)17-28)24-8-4-5-20(15-24)16-26-23-10-13-30-14-11-23/h2-8,15,23,25-26,29H,9-14,16-19H2,1H3
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343916
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(2-methyl...)
Show SMILES Cn1cc2ccc(nc2n1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H26N4O2/c1-28-14-21-9-10-24(26-25(21)27-28)19-7-4-8-23(13-19)31-17-22(30)16-29-12-11-18-5-2-3-6-20(18)15-29/h2-10,13-14,22,30H,11-12,15-17H2,1H3
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343944
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((4-(3-methy...)
Show SMILES Cn1cnc2ccc(nc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C24H26N6O/c1-29-16-27-22-7-6-21(28-24(22)29)18-8-10-25-23(12-18)26-13-20(31)15-30-11-9-17-4-2-3-5-19(17)14-30/h2-8,10,12,16,20,31H,9,11,13-15H2,1H3,(H,25,26)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343952
PNG
(US9777008, Compound 246)
Show SMILES OC(CNc1cc(ccn1)-c1ncc2ccn(CC(=O)N3CCCCC3)c2n1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C30H35N7O2/c38-26(20-35-14-9-22-6-2-3-7-25(22)19-35)18-32-27-16-23(8-11-31-27)29-33-17-24-10-15-37(30(24)34-29)21-28(39)36-12-4-1-5-13-36/h2-3,6-8,10-11,15-17,26,38H,1,4-5,9,12-14,18-21H2,(H,31,32)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343967
PNG
(US9777008, Compound 261)
Show SMILES Cn1cc2ccc(nc2n1)-c1cccc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H27N5O/c1-29-15-21-9-10-24(27-25(21)28-29)19-7-4-8-22(13-19)26-14-23(31)17-30-12-11-18-5-2-3-6-20(18)16-30/h2-10,13,15,23,26,31H,11-12,14,16-17H2,1H3
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343975
PNG
(US9777008, Compound 269)
Show SMILES OC(COc1cccc(c1)-c1ccc2ncn(C3COC3)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C28H29N3O3/c32-25(15-30-11-10-20-4-1-2-5-23(20)14-30)18-34-26-7-3-6-21(12-26)22-8-9-27-28(13-22)31(19-29-27)24-16-33-17-24/h1-9,12-13,19,24-25,32H,10-11,14-18H2
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343882
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1-methyl...)
Show SMILES Cn1ccc2ccc(nc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C26H27N3O2/c1-28-13-11-20-9-10-25(27-26(20)28)21-7-4-8-24(15-21)31-18-23(30)17-29-14-12-19-5-2-3-6-22(19)16-29/h2-11,13,15,23,30H,12,14,16-18H2,1H3
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343905
PNG
(US9777008, Compound 199)
Show SMILES Cn1cnc2ccc(cc12)-c1cncc(NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H27N5O/c1-29-17-28-24-7-6-19(11-25(24)29)21-10-22(13-26-12-21)27-14-23(31)16-30-9-8-18-4-2-3-5-20(18)15-30/h2-7,10-13,17,23,27,31H,8-9,14-16H2,1H3
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343925
PNG
(US9777008, Compound 219)
Show SMILES CN1CCC(C1)n1cnc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C30H34N4O2/c1-32-13-12-26(18-32)34-21-31-29-10-9-24(16-30(29)34)23-7-4-8-28(15-23)36-20-27(35)19-33-14-11-22-5-2-3-6-25(22)17-33/h2-10,15-16,21,26-27,35H,11-14,17-20H2,1H3
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343957
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((4-(1-(tetr...)
Show SMILES OC(CNc1cc(ccn1)-c1ccc2ncn(C3CCOCC3)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C29H33N5O2/c35-26(19-33-12-8-21-3-1-2-4-24(21)18-33)17-31-29-16-23(7-11-30-29)22-5-6-27-28(15-22)34(20-32-27)25-9-13-36-14-10-25/h1-7,11,15-16,20,25-26,35H,8-10,12-14,17-19H2,(H,30,31)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343960
PNG
(US9777008, Compound 254)
Show SMILES OC(CNc1cc(ccn1)-c1ncc2ccn(C3CNC3)c2n1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H29N7O/c34-23(17-32-9-6-18-3-1-2-4-21(18)16-32)15-29-24-11-19(5-8-28-24)25-30-12-20-7-10-33(26(20)31-25)22-13-27-14-22/h1-5,7-8,10-12,22-23,27,34H,6,9,13-17H2,(H,28,29)
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343812
PNG
(US9777008, Compound 106)
Show SMILES Cn1ncc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C26H27N3O2/c1-28-26-14-21(9-10-22(26)15-27-28)20-7-4-8-25(13-20)31-18-24(30)17-29-12-11-19-5-2-3-6-23(19)16-29/h2-10,13-15,24,30H,11-12,16-18H2,1H3
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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343963
PNG
((R)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(quin...)
Show SMILES O[C@@H](COc1cccc(c1)-c1cccc2cccnc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C27H26N2O2/c30-24(18-29-15-13-20-6-1-2-7-23(20)17-29)19-31-25-11-3-9-22(16-25)26-12-4-8-21-10-5-14-28-27(21)26/h1-12,14,16,24,30H,13,15,17-19H2/t24-/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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343874
PNG
(US9777008, Compound 168)
Show SMILES COc1ccc(cc1Cl)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H26ClNO3/c1-29-25-10-9-20(14-24(25)26)19-7-4-8-23(13-19)30-17-22(28)16-27-12-11-18-5-2-3-6-21(18)15-27/h2-10,13-14,22,28H,11-12,15-17H2,1H3
PDB

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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 US9777008 (2017)

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