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Compile Data Set for Download or QSAR

Found 589 hits Enz. Inhib. hit(s) with Target = 'PRMT5/MEP50 Enzyme'   
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))
BDBM50089221
PNG
(CHEMBL3577854)
Show SMILES CCNC(=O)NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O4S/c1-2-17-15(25)18-3-4-27-5-8-10(23)11(24)14(26-8)22-7-21-9-12(16)19-6-20-13(9)22/h6-8,10-11,14,23-24H,2-5H2,1H3,(H2,16,19,20)(H2,17,18,25)/t8-,10-,11-,14-/m1/s1
PDB

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PC sid
UniChem

Similars

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



University of Toronto

Curated by ChEMBL


Assay Description
Binding affinity to human full length PRMT5-MEP50 complex by Surface plasmon resonance method


ACS Med Chem Lett 6: 408-12 (2015)


Article DOI: 10.1021/ml500467h
BindingDB Entry DOI: 10.7270/Q2Q81FSZ
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM225230
PNG
(EED226)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research



Assay Description
All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383].


Nat Chem Biol 13: 381-388 (2017)


Article DOI: 10.1038/nchembio.2304
BindingDB Entry DOI: 10.7270/Q2S75F64
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM336955
PNG
(US9745291, Compound 1 | US9765068, Compound 1)
Show SMILES OC(CNC(=O)COc1ccccc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C20H24N2O3/c23-18(12-21-20(24)15-25-19-8-2-1-3-9-19)14-22-11-10-16-6-4-5-7-17(16)13-22/h1-9,18,23H,10-15H2,(H,21,24)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336956
PNG
(US9745291, Compound 2 | US9765068, Compound 2)
Show SMILES OC(CNC(=O)CCc1ccccc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H26N2O2/c24-20(14-22-21(25)11-10-17-6-2-1-3-7-17)16-23-13-12-18-8-4-5-9-19(18)15-23/h1-9,20,24H,10-16H2,(H,22,25)
PDB

UniProtKB/SwissProt

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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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336957
PNG
(US9745291, Compound 3 | US9765068, Compound 3)
Show SMILES CN(CC(O)CN1CCc2ccccc2C1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C22H28N2O2/c1-23(22(26)12-11-18-7-3-2-4-8-18)16-21(25)17-24-14-13-19-9-5-6-10-20(19)15-24/h2-10,21,25H,11-17H2,1H3
PDB

UniProtKB/SwissProt

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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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336958
PNG
(US9745291, Compound 4 | US9765068, Compound 4)
Show SMILES OC(CNC(=O)COc1cccc2N(Cc3ccccc3)CCCc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C30H35N3O3/c34-26(21-32-17-15-24-10-4-5-11-25(24)20-32)18-31-30(35)22-36-29-14-6-13-28-27(29)12-7-16-33(28)19-23-8-2-1-3-9-23/h1-6,8-11,13-14,26,34H,7,12,15-22H2,(H,31,35)
PDB

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PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


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


US Patent US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336959
PNG
(US9745291, Compound 5 | US9765068, Compound 5)
Show SMILES CN(CC(O)CN1CCc2ccccc2C1)C(=O)COc1ccccc1
Show InChI InChI=1S/C21H26N2O3/c1-22(21(25)16-26-20-9-3-2-4-10-20)14-19(24)15-23-12-11-17-7-5-6-8-18(17)13-23/h2-10,19,24H,11-16H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+4n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


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


US Patent US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336960
PNG
(US9745291, Compound 6 | US9765068, Compound 6)
Show SMILES OC(CNC(=O)COc1cccc2cccnc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H25N3O3/c27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21/h1-9,11,20,27H,10,12-16H2,(H,25,28)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336961
PNG
(US9745291, Compound 7 | US9765068, Compound 7)
Show SMILES OC(CNC(=O)COc1cccc(F)c1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C20H23FN2O3/c21-17-6-3-7-19(10-17)26-14-20(25)22-11-18(24)13-23-9-8-15-4-1-2-5-16(15)12-23/h1-7,10,18,24H,8-9,11-14H2,(H,22,25)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336962
PNG
(US9745291, Compound 8 | US9765068, Compound 8)
Show SMILES OC(CNC(=O)COc1cccc(c1)C#N)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H23N3O3/c22-11-16-4-3-7-20(10-16)27-15-21(26)23-12-19(25)14-24-9-8-17-5-1-2-6-18(17)13-24/h1-7,10,19,25H,8-9,12-15H2,(H,23,26)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336963
PNG
(US9745291, Compound 9 | US9765068, Compound 9)
Show SMILES Cc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C21H26N2O3/c1-16-6-8-20(9-7-16)26-15-21(25)22-12-19(24)14-23-11-10-17-4-2-3-5-18(17)13-23/h2-9,19,24H,10-15H2,1H3,(H,22,25)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336964
PNG
(US9745291, Compound 10 | US9765068, Compound 10)
Show SMILES OC(CNC(=O)COc1ccc(F)cc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C20H23FN2O3/c21-17-5-7-19(8-6-17)26-14-20(25)22-11-18(24)13-23-10-9-15-3-1-2-4-16(15)12-23/h1-8,18,24H,9-14H2,(H,22,25)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336965
PNG
(US9745291, Compound 11 | US9765068, Compound 11)
Show SMILES OC(CNC(=O)COc1ccc(cc1)C#N)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H23N3O3/c22-11-16-5-7-20(8-6-16)27-15-21(26)23-12-19(25)14-24-10-9-17-3-1-2-4-18(17)13-24/h1-8,19,25H,9-10,12-15H2,(H,23,26)
PDB

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DrugBank
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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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336966
PNG
(US9745291, Compound 12 | US9765068, Compound 12)
Show SMILES COc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C21H26N2O4/c1-26-19-6-8-20(9-7-19)27-15-21(25)22-12-18(24)14-23-11-10-16-4-2-3-5-17(16)13-23/h2-9,18,24H,10-15H2,1H3,(H,22,25)
PDB

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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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336967
PNG
(US9745291, Compound 13 | US9765068, Compound 13)
Show SMILES NC(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C21H25N3O4/c22-21(27)16-5-7-19(8-6-16)28-14-20(26)23-11-18(25)13-24-10-9-15-3-1-2-4-17(15)12-24/h1-8,18,25H,9-14H2,(H2,22,27)(H,23,26)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336968
PNG
(US9745291, Compound 14 | US9765068, Compound 14)
Show SMILES CS(=O)(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C21H26N2O5S/c1-29(26,27)20-8-6-19(7-9-20)28-15-21(25)22-12-18(24)14-23-11-10-16-4-2-3-5-17(16)13-23/h2-9,18,24H,10-15H2,1H3,(H,22,25)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336969
PNG
(US9745291, Compound 15 | US9765068, Compound 15)
Show SMILES Cc1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H26N2O3/c1-16-6-2-5-9-20(16)26-15-21(25)22-12-19(24)14-23-11-10-17-7-3-4-8-18(17)13-23/h2-9,19,24H,10-15H2,1H3,(H,22,25)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336970
PNG
(US9745291, Compound 16 | US9765068, Compound 16)
Show SMILES OC(CNC(=O)COc1ccccc1F)CN1CCc2ccccc2C1
Show InChI InChI=1S/C20H23FN2O3/c21-18-7-3-4-8-19(18)26-14-20(25)22-11-17(24)13-23-10-9-15-5-1-2-6-16(15)12-23/h1-8,17,24H,9-14H2,(H,22,25)
PDB

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DrugBank
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PC cid
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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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336971
PNG
(US9745291, Compound 17 | US9765068, Compound 17)
Show SMILES OC(CNC(=O)COc1ccccc1C#N)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H23N3O3/c22-11-17-6-3-4-8-20(17)27-15-21(26)23-12-19(25)14-24-10-9-16-5-1-2-7-18(16)13-24/h1-8,19,25H,9-10,12-15H2,(H,23,26)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336972
PNG
(US9745291, Compound 18 | US9765068, Compound 18)
Show SMILES OC(CNC(=O)CNc1ccccc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C20H25N3O2/c24-19(12-22-20(25)13-21-18-8-2-1-3-9-18)15-23-11-10-16-6-4-5-7-17(16)14-23/h1-9,19,21,24H,10-15H2,(H,22,25)
PDB

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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 US9745291 (2017)

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


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

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 US9745291 (2017)

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


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

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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336975
PNG
(US9745291, Compound 21 | US9765068, Compound 21)
Show SMILES CC(=O)Nc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C22H27N3O4/c1-16(26)24-19-6-8-21(9-7-19)29-15-22(28)23-12-20(27)14-25-11-10-17-4-2-3-5-18(17)13-25/h2-9,20,27H,10-15H2,1H3,(H,23,28)(H,24,26)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336976
PNG
(US9745291, Compound 22 | US9765068, Compound 22)
Show SMILES COc1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H26N2O4/c1-26-19-8-4-5-9-20(19)27-15-21(25)22-12-18(24)14-23-11-10-16-6-2-3-7-17(16)13-23/h2-9,18,24H,10-15H2,1H3,(H,22,25)
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n/an/a<100n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


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


US Patent US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336977
PNG
(US9745291, Compound 23 | US9765068, Compound 23)
Show SMILES Cn1ncc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc12
Show InChI InChI=1S/C22H26N4O3/c1-25-21-10-20(7-6-17(21)11-24-25)29-15-22(28)23-12-19(27)14-26-9-8-16-4-2-3-5-18(16)13-26/h2-7,10-11,19,27H,8-9,12-15H2,1H3,(H,23,28)
PDB

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



Epizyme, Inc.

US Patent


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


US Patent US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336978
PNG
(US9745291, Compound 24 | US9765068, Compound 24)
Show SMILES OC(CNC(=O)COC1CCCCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C20H30N2O3/c23-18(12-21-20(24)15-25-19-8-2-1-3-9-19)14-22-11-10-16-6-4-5-7-17(16)13-22/h4-7,18-19,23H,1-3,8-15H2,(H,21,24)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336979
PNG
(US9745291, Compound 25 | US9765068, Compound 25)
Show SMILES CC(C)(Oc1ccccc1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H28N2O3/c1-22(2,27-20-10-4-3-5-11-20)21(26)23-14-19(25)16-24-13-12-17-8-6-7-9-18(17)15-24/h3-11,19,25H,12-16H2,1-2H3,(H,23,26)
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 US9745291 (2017)

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


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

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Epizyme, Inc.

US Patent


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


US Patent US9745291 (2017)

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


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

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Epizyme, Inc.

US Patent


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


US Patent US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336982
PNG
(US9745291, Compound 28 | US9765068, Compound 28)
Show SMILES CS(=O)(=O)Nc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C21H27N3O5S/c1-30(27,28)23-18-7-4-8-20(11-18)29-15-21(26)22-12-19(25)14-24-10-9-16-5-2-3-6-17(16)13-24/h2-8,11,19,23,25H,9-10,12-15H2,1H3,(H,22,26)
PDB

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



Epizyme, Inc.

US Patent


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


US Patent US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336983
PNG
(US9745291, Compound 29 | US9765068, Compound 29)
Show SMILES NC(=O)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H25N3O4/c22-21(27)18-7-3-4-8-19(18)28-14-20(26)23-11-17(25)13-24-10-9-15-5-1-2-6-16(15)12-24/h1-8,17,25H,9-14H2,(H2,22,27)(H,23,26)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336984
PNG
(US9745291, Compound 30 | US9765068, Compound 30)
Show SMILES Cn1cnc2ccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cc12
Show InChI InChI=1S/C22H26N4O3/c1-25-15-24-20-7-6-19(10-21(20)25)29-14-22(28)23-11-18(27)13-26-9-8-16-4-2-3-5-17(16)12-26/h2-7,10,15,18,27H,8-9,11-14H2,1H3,(H,23,28)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336985
PNG
(US9745291, Compound 31 | US9765068, Compound 31)
Show SMILES CC(=O)Nc1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C22H27N3O4/c1-16(26)24-19-7-4-8-21(11-19)29-15-22(28)23-12-20(27)14-25-10-9-17-5-2-3-6-18(17)13-25/h2-8,11,20,27H,9-10,12-15H2,1H3,(H,23,28)(H,24,26)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336986
PNG
(US9745291, Compound 32 | US9765068, Compound 32)
Show SMILES O[C@@H](CNC(=O)COc1ccccc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C20H24N2O3/c23-18(12-21-20(24)15-25-19-8-2-1-3-9-19)14-22-11-10-16-6-4-5-7-17(16)13-22/h1-9,18,23H,10-15H2,(H,21,24)/t18-/m0/s1
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336987
PNG
(US9745291, Compound 33 | US9765068, Compound 33)
Show SMILES O[C@H](CNC(=O)COc1ccccc1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C20H24N2O3/c23-18(12-21-20(24)15-25-19-8-2-1-3-9-19)14-22-11-10-16-6-4-5-7-17(16)13-22/h1-9,18,23H,10-15H2,(H,21,24)/t18-/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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336988
PNG
(US9745291, Compound 34 | US9765068, Compound 34)
Show SMILES NC(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1
Show InChI InChI=1S/C21H25N3O4/c22-21(27)16-6-3-7-19(10-16)28-14-20(26)23-11-18(25)13-24-9-8-15-4-1-2-5-17(15)12-24/h1-7,10,18,25H,8-9,11-14H2,(H2,22,27)(H,23,26)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336989
PNG
(US9745291, Compound 35 | US9765068, Compound 35)
Show SMILES CN(C)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C22H29N3O3/c1-24(2)19-7-9-21(10-8-19)28-16-22(27)23-13-20(26)15-25-12-11-17-5-3-4-6-18(17)14-25/h3-10,20,26H,11-16H2,1-2H3,(H,23,27)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336990
PNG
(US9745291, Compound 36 | US9765068, Compound 36)
Show SMILES CC(=O)Nc1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H27N3O4/c1-16(26)24-20-8-4-5-9-21(20)29-15-22(28)23-12-19(27)14-25-11-10-17-6-2-3-7-18(17)13-25/h2-9,19,27H,10-15H2,1H3,(H,23,28)(H,24,26)
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 US9745291 (2017)

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


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

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Epizyme, Inc.

US Patent


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


US Patent US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336992
PNG
(US9745291, Compound 38 | US9765068, Compound 38)
Show SMILES CN(C)c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C22H29N3O3/c1-24(2)20-9-5-6-10-21(20)28-16-22(27)23-13-19(26)15-25-12-11-17-7-3-4-8-18(17)14-25/h3-10,19,26H,11-16H2,1-2H3,(H,23,27)
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 US9745291 (2017)

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


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

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



Epizyme, Inc.

US Patent


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


US Patent US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336994
PNG
(US9745291, Compound 40 | US9765068, Compound 40)
Show SMILES OC(CNC(=O)COc1ccccc1C1CCCCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C26H34N2O3/c29-23(18-28-15-14-20-8-4-5-11-22(20)17-28)16-27-26(30)19-31-25-13-7-6-12-24(25)21-9-2-1-3-10-21/h4-8,11-13,21,23,29H,1-3,9-10,14-19H2,(H,27,30)
PDB

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



Epizyme, Inc.

US Patent


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


US Patent US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336995
PNG
(US9745291, Compound 41 | US9765068, Compound 41)
Show SMILES OC(CNC(=O)COC1CCOCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C19H28N2O4/c22-17(11-20-19(23)14-25-18-6-9-24-10-7-18)13-21-8-5-15-3-1-2-4-16(15)12-21/h1-4,17-18,22H,5-14H2,(H,20,23)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336996
PNG
(US9745291, Compound 42 | US9765068, Compound 42)
Show SMILES CS(=O)(=O)Nc1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C21H27N3O5S/c1-30(27,28)23-18-6-8-20(9-7-18)29-15-21(26)22-12-19(25)14-24-11-10-16-4-2-3-5-17(16)13-24/h2-9,19,23,25H,10-15H2,1H3,(H,22,26)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336997
PNG
(US9745291, Compound 43 | US9765068, Compound 43)
Show SMILES CC(C)(Oc1cccc2cccnc12)C(=O)NCC(O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C25H29N3O3/c1-25(2,31-22-11-5-9-19-10-6-13-26-23(19)22)24(30)27-15-21(29)17-28-14-12-18-7-3-4-8-20(18)16-28/h3-11,13,21,29H,12,14-17H2,1-2H3,(H,27,30)
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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336998
PNG
(US9745291, Compound 44 | US9765068, Compound 44)
Show SMILES O[C@@H](CNC(=O)COc1cccc2cccnc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H25N3O3/c27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21/h1-9,11,20,27H,10,12-16H2,(H,25,28)/t20-/m0/s1
PDB

UniProtKB/SwissProt

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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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM336999
PNG
(US9745291, Compound 269 | US9745291, Compound 45 |...)
Show SMILES O[C@H](CNC(=O)COc1cccc2cccnc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C23H25N3O3/c27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21/h1-9,11,20,27H,10,12-16H2,(H,25,28)/t20-/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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM337000
PNG
(US9745291, Compound 46 | US9765068, Compound 46)
Show SMILES Cn1cnc2cc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)ccc12
Show InChI InChI=1S/C22H26N4O3/c1-25-15-24-20-10-19(6-7-21(20)25)29-14-22(28)23-11-18(27)13-26-9-8-16-4-2-3-5-17(16)12-26/h2-7,10,15,18,27H,8-9,11-14H2,1H3,(H,23,28)
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 US9745291 (2017)

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


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

UniProtKB/SwissProt

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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 US9745291 (2017)

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


(Homo sapiens (Human))
BDBM337002
PNG
(US9745291, Compound 48 | US9765068, Compound 48)
Show SMILES OC(CNC(=O)COc1cccc2ccc(nc12)N1CCOCC1)CN1CCc2ccccc2C1
Show InChI InChI=1S/C27H32N4O4/c32-23(18-30-11-10-20-4-1-2-5-22(20)17-30)16-28-26(33)19-35-24-7-3-6-21-8-9-25(29-27(21)24)31-12-14-34-15-13-31/h1-9,23,32H,10-19H2,(H,28,33)
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 US9745291 (2017)

More data for this
Ligand-Target Pair
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