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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))
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
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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 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

UniProtKB/SwissProt

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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343885
PNG
(US9777008, Compound 179)
Show SMILES CCC1N(CC(O)COc2cccc(c2)-c2ccc3ncn(C)c3c2)CCc2ccccc12
Show InChI InChI=1S/C28H31N3O2/c1-3-27-25-10-5-4-7-20(25)13-14-31(27)17-23(32)18-33-24-9-6-8-21(15-24)22-11-12-26-28(16-22)30(2)19-29-26/h4-12,15-16,19,23,27,32H,3,13-14,17-18H2,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343902
PNG
(US9777008, Compound 196)
Show SMILES CN(C(=O)c1cnco1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C23H25N3O4/c1-25(23(28)22-12-24-16-30-22)19-7-4-8-21(11-19)29-15-20(27)14-26-10-9-17-5-2-3-6-18(17)13-26/h2-8,11-12,16,20,27H,9-10,13-15H2,1H3
PDB

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UniChem
US Patent
n/an/a 5.50E+3n/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))
BDBM343904
PNG
(US9777008, Compound 198)
Show SMILES CN(C(=O)c1cocn1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C23H25N3O4/c1-25(23(28)22-15-29-16-24-22)19-7-4-8-21(11-19)30-14-20(27)13-26-10-9-17-5-2-3-6-18(17)12-26/h2-8,11,15-16,20,27H,9-10,12-14H2,1H3
PDB

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PC sid
UniChem
US Patent
n/an/a 2.50E+4n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


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


US Patent US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343921
PNG
(US9777008, Compound 215)
Show SMILES Cn1cnc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3c(Cl)cccc3C2)c1
Show InChI InChI=1S/C26H26ClN3O2/c1-29-17-28-25-9-8-19(13-26(25)29)18-4-2-6-22(12-18)32-16-21(31)15-30-11-10-23-20(14-30)5-3-7-24(23)27/h2-9,12-13,17,21,31H,10-11,14-16H2,1H3
PDB

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PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343934
PNG
(1-(4-(6-(3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-...)
Show SMILES CC(=O)N1CCC(CC1)n1cnc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C32H36N4O3/c1-23(37)35-15-12-28(13-16-35)36-22-33-31-10-9-26(18-32(31)36)25-7-4-8-30(17-25)39-21-29(38)20-34-14-11-24-5-2-3-6-27(24)19-34/h2-10,17-18,22,28-29,38H,11-16,19-21H2,1H3
PDB

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UniChem
US Patent
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
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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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 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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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 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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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 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))
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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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343973
PNG
(US9777008, Compound 267)
Show SMILES OC(COc1cccc(c1)C(=O)Nc1ccccn1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C24H25N3O3/c28-21(16-27-13-11-18-6-1-2-7-20(18)15-27)17-30-22-9-5-8-19(14-22)24(29)26-23-10-3-4-12-25-23/h1-10,12,14,21,28H,11,13,15-17H2,(H,25,26,29)
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
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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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 US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343978
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((5-(1-methy...)
Show SMILES Cn1cnc2cc(ccc12)-c1cc(NCC(O)CN2CCc3ccccc3C2)n[nH]1
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
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))
BDBM343994
PNG
(US9777008, Compound 288)
Show SMILES COc1cccc(COCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C20H25NO3/c1-23-20-8-4-5-16(11-20)14-24-15-19(22)13-21-10-9-17-6-2-3-7-18(17)12-21/h2-8,11,19,22H,9-10,12-15H2,1H3
PDB

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US Patent
n/an/a 5.50E+3n/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))
BDBM344011
PNG
(US9777008, Compound 305)
Show SMILES OC(COCC1CCCO1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C17H25NO3/c19-16(12-20-13-17-6-3-9-21-17)11-18-8-7-14-4-1-2-5-15(14)10-18/h1-2,4-5,16-17,19H,3,6-13H2
PDB

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n/an/a 2.50E+4n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


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


US Patent US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343718
PNG
(US9777008, Compound 12)
Show SMILES OC(COCc1ccc(OCc2ccccc2)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H29NO3/c28-25(17-27-15-14-23-8-4-5-9-24(23)16-27)20-29-18-22-10-12-26(13-11-22)30-19-21-6-2-1-3-7-21/h1-13,25,28H,14-20H2
PDB

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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))
BDBM343737
PNG
((4-((5-(4-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-h...)
Show SMILES OC(COc1ccc(cc1)-c1ccnn1Cc1ccc(cc1)C(=O)N1CCCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C33H36N4O3/c38-30(23-35-20-16-26-5-1-2-6-29(26)22-35)24-40-31-13-11-27(12-14-31)32-15-17-34-37(32)21-25-7-9-28(10-8-25)33(39)36-18-3-4-19-36/h1-2,5-15,17,30,38H,3-4,16,18-24H2
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343747
PNG
(US9777008, Compound 41)
Show SMILES COc1ccc(Cn2ccc(n2)-c2ccc(OC[C@H](O)CN3CCc4ccccc4C3)cc2)cc1
Show InChI InChI=1S/C29H31N3O3/c1-34-27-10-6-22(7-11-27)18-32-17-15-29(30-32)24-8-12-28(13-9-24)35-21-26(33)20-31-16-14-23-4-2-3-5-25(23)19-31/h2-13,15,17,26,33H,14,16,18-21H2,1H3/t26-/m1/s1
PDB

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n/an/a 5.50E+3n/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))
BDBM343761
PNG
(US9777008, Compound 55)
Show SMILES OC(COc1cccc(c1)-c1cccc(Oc2ccccc2)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C30H29NO3/c32-27(21-31-17-16-23-8-4-5-9-26(23)20-31)22-33-29-14-6-10-24(18-29)25-11-7-15-30(19-25)34-28-12-2-1-3-13-28/h1-15,18-19,27,32H,16-17,20-22H2
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n/an/a 5.50E+3n/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))
BDBM343762
PNG
(US9777008, Compound 56)
Show SMILES CC1CN(CC(O)COc2cccc(CNC3CCCC3)c2)Cc2ccccc12
Show InChI InChI=1S/C25H34N2O2/c1-19-15-27(16-21-8-2-5-12-25(19)21)17-23(28)18-29-24-11-6-7-20(13-24)14-26-22-9-3-4-10-22/h2,5-8,11-13,19,22-23,26,28H,3-4,9-10,14-18H2,1H3
PDB

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n/an/a>4.00E+4n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


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


US Patent US9777008 (2017)

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


(Homo sapiens (Human))
BDBM343770
PNG
(US9777008, Compound 64)
Show SMILES COc1ccc(Cl)c(c1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H26ClNO3/c1-29-22-9-10-25(26)24(14-22)19-7-4-8-23(13-19)30-17-21(28)16-27-12-11-18-5-2-3-6-20(18)15-27/h2-10,13-14,21,28H,11-12,15-17H2,1H3
PDB

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n/an/a 5.50E+3n/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))
BDBM343772
PNG
(US9777008, Compound 66)
Show SMILES Cn1cnc2ccc(cc12)N1CCCC(C1)OCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H32N4O2/c1-27-18-26-24-9-8-21(13-25(24)27)29-11-4-7-23(16-29)31-17-22(30)15-28-12-10-19-5-2-3-6-20(19)14-28/h2-3,5-6,8-9,13,18,22-23,30H,4,7,10-12,14-17H2,1H3
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343778
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((3′-(...)
Show SMILES OCc1cccc(c1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H27NO3/c27-17-19-5-3-8-21(13-19)22-9-4-10-25(14-22)29-18-24(28)16-26-12-11-20-6-1-2-7-23(20)15-26/h1-10,13-14,24,27-28H,11-12,15-18H2
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343791
PNG
(1-(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)phenoxy)...)
Show SMILES OC(COc1cccc(c1)-c1ccc2OCCOc2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H27NO4/c28-23(17-27-11-10-19-4-1-2-5-22(19)16-27)18-31-24-7-3-6-20(14-24)21-8-9-25-26(15-21)30-13-12-29-25/h1-9,14-15,23,28H,10-13,16-18H2
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343806
PNG
(US9777008, Compound 100)
Show SMILES COc1cccc2CCN(CC(O)COc3cccc(c3)-c3ccc4ncn(C)c4c3)Cc12
Show InChI InChI=1S/C27H29N3O3/c1-29-18-28-25-10-9-21(14-26(25)29)20-6-3-7-23(13-20)33-17-22(31)15-30-12-11-19-5-4-8-27(32-2)24(19)16-30/h3-10,13-14,18,22,31H,11-12,15-17H2,1-2H3
PDB

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n/an/a 5.50E+3n/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))
BDBM343809
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1-(tetra...)
Show SMILES OC(COc1cccc(c1)-c1ccc2ncn(C3CCOCC3)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C30H33N3O3/c34-27(19-32-13-10-22-4-1-2-5-25(22)18-32)20-36-28-7-3-6-23(16-28)24-8-9-29-30(17-24)33(21-31-29)26-11-14-35-15-12-26/h1-9,16-17,21,26-27,34H,10-15,18-20H2
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343810
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1-phenyl...)
Show SMILES OC(COc1cccc(c1)-c1ccc2ncn(-c3ccccc3)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C31H29N3O2/c35-28(20-33-16-15-23-7-4-5-8-26(23)19-33)21-36-29-12-6-9-24(17-29)25-13-14-30-31(18-25)34(22-32-30)27-10-2-1-3-11-27/h1-14,17-18,22,28,35H,15-16,19-21H2
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
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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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))
BDBM343815
PNG
(5-(3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydrox...)
Show SMILES OC(COc1cccc(c1)-c1ccc2[nH]c(=O)[nH]c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H23N3O3/c29-21(15-28-11-10-17-4-1-2-5-20(17)14-28)16-31-22-7-3-6-18(12-22)19-8-9-23-24(13-19)27-25(30)26-23/h1-9,12-13,21,29H,10-11,14-16H2
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
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))
BDBM343827
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((6-(1-methy...)
Show SMILES Cn1cnc2ccc(cc12)-c1cncc(NCC(O)CN2CCc3ccccc3C2)n1
Show InChI InChI=1S/C24H26N6O/c1-29-16-27-21-7-6-18(10-23(21)29)22-12-25-13-24(28-22)26-11-20(31)15-30-9-8-17-4-2-3-5-19(17)14-30/h2-7,10,12-13,16,20,31H,8-9,11,14-15H2,1H3,(H,26,28)
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343831
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(2-(dimet...)
Show SMILES CN(C)c1ncc(cn1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C24H28N4O2/c1-27(2)24-25-13-21(14-26-24)19-8-5-9-23(12-19)30-17-22(29)16-28-11-10-18-6-3-4-7-20(18)15-28/h3-9,12-14,22,29H,10-11,15-17H2,1-2H3
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343843
PNG
(US9777008, Compound 137)
Show SMILES CC(=O)c1ccc(cc1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C26H27NO3/c1-19(28)20-9-11-22(12-10-20)23-7-4-8-26(15-23)30-18-25(29)17-27-14-13-21-5-2-3-6-24(21)16-27/h2-12,15,25,29H,13-14,16-18H2,1H3
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343844
PNG
(US9777008, Compound 138)
Show SMILES Cc1ccc(F)c(c1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H26FNO2/c1-18-9-10-25(26)24(13-18)20-7-4-8-23(14-20)29-17-22(28)16-27-12-11-19-5-2-3-6-21(19)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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343854
PNG
(US9777008, Compound 148)
Show SMILES OC(COc1cccc(c1)-c1ccc2CNC(=O)c2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H26N2O3/c29-23(16-28-11-10-18-4-1-2-5-22(18)15-28)17-31-24-7-3-6-19(12-24)20-8-9-21-14-27-26(30)25(21)13-20/h1-9,12-13,23,29H,10-11,14-17H2,(H,27,30)
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343855
PNG
(US9777008, Compound 149)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C28H34N4O2/c1-30-13-15-32(16-14-30)28-10-9-24(18-29-28)23-7-4-8-27(17-23)34-21-26(33)20-31-12-11-22-5-2-3-6-25(22)19-31/h2-10,17-18,26,33H,11-16,19-21H2,1H3
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343862
PNG
(6-(3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydrox...)
Show SMILES OC(COc1cccc(c1)-c1ccc2OCC(=O)Nc2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H26N2O4/c29-22(15-28-11-10-18-4-1-2-5-21(18)14-28)16-31-23-7-3-6-19(12-23)20-8-9-25-24(13-20)27-26(30)17-32-25/h1-9,12-13,22,29H,10-11,14-17H2,(H,27,30)
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343873
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-((2′-p...)
Show SMILES OC(COc1cccc(c1)-c1ccccc1Oc1ccccc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C30H29NO3/c32-26(21-31-18-17-23-9-4-5-10-25(23)20-31)22-33-28-14-8-11-24(19-28)29-15-6-7-16-30(29)34-27-12-2-1-3-13-27/h1-16,19,26,32H,17-18,20-22H2
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343894
PNG
(US9777008, Compound 188)
Show SMILES OC(COc1cccc(c1)-c1ccc2ncoc2c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H24N2O3/c28-22(15-27-11-10-18-4-1-2-5-21(18)14-27)16-29-23-7-3-6-19(12-23)20-8-9-24-25(13-20)30-17-26-24/h1-9,12-13,17,22,28H,10-11,14-16H2
PDB

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PC cid
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UniChem
US Patent
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343897
PNG
(US9777008, Compound 191)
Show SMILES Cn1cnc2cnc(nc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C24H25N5O2/c1-28-16-26-22-12-25-23(27-24(22)28)18-7-4-8-21(11-18)31-15-20(30)14-29-10-9-17-5-2-3-6-19(17)13-29/h2-8,11-12,16,20,30H,9-10,13-15H2,1H3
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343898
PNG
(US9777008, Compound 192)
Show SMILES Cc1cccc2CCN(CC(O)COc3cccc(c3)-c3ccc4ncn(C)c4c3)Cc12
Show InChI InChI=1S/C27H29N3O2/c1-19-5-3-6-20-11-12-30(16-25(19)20)15-23(31)17-32-24-8-4-7-21(13-24)22-9-10-26-27(14-22)29(2)18-28-26/h3-10,13-14,18,23,31H,11-12,15-17H2,1-2H3
PDB

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US Patent
n/an/a 5.50E+3n/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))
BDBM343906
PNG
(US9777008, Compound 200)
Show SMILES OC(COc1cccc(c1)-c1cc(OC(F)(F)F)ccc1Cl)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H23ClF3NO3/c26-24-9-8-22(33-25(27,28)29)13-23(24)18-6-3-7-21(12-18)32-16-20(31)15-30-11-10-17-4-1-2-5-19(17)14-30/h1-9,12-13,20,31H,10-11,14-16H2
PDB

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US Patent
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343913
PNG
(US9777008, Compound 207)
Show SMILES Cn1cnc2ccc(cc12)-c1cc(NCC(O)CN2CCc3ccccc3C2)ncn1
Show InChI InChI=1S/C24H26N6O/c1-29-16-28-21-7-6-18(10-23(21)29)22-11-24(27-15-26-22)25-12-20(31)14-30-9-8-17-4-2-3-5-19(17)13-30/h2-7,10-11,15-16,20,31H,8-9,12-14H2,1H3,(H,25,26,27)
PDB

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US Patent
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
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM343922
PNG
(1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(1-methyl...)
Show SMILES Cn1ncc2CCN(Cc12)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C25H30N4O2/c1-27-25-17-29(12-10-20(25)14-26-27)22-7-4-8-24(13-22)31-18-23(30)16-28-11-9-19-5-2-3-6-21(19)15-28/h2-8,13-14,23,30H,9-12,15-18H2,1H3
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
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))
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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DrugBank
GoogleScholar
PC cid
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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
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* indicates data uncertainty>20%