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Patent code US9333217

Compile Data Set for Download or QSAR
Found 10 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
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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US Patent
n/an/a 263n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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US Patent
n/an/a 283n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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US Patent
n/an/a 380n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a 467n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM227458
PNG
(US9333217, 75)
Show SMILES N[C@@H](CCN(CCNCCc1ccc(Cl)cc1)CC1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C24H33ClN8O5/c25-15-3-1-14(2-4-15)5-7-28-8-10-32(9-6-16(26)24(36)37)11-17-19(34)20(35)23(38-17)33-13-31-18-21(27)29-12-30-22(18)33/h1-4,12-13,16-17,19-20,23,28,34-35H,5-11,26H2,(H,36,37)(H2,27,29,30)/t16-,17?,19+,20+,23+/m0/s1
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US Patent
n/an/a 2.50E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM227458
PNG
(US9333217, 75)
Show SMILES N[C@@H](CCN(CCNCCc1ccc(Cl)cc1)CC1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C24H33ClN8O5/c25-15-3-1-14(2-4-15)5-7-28-8-10-32(9-6-16(26)24(36)37)11-17-19(34)20(35)23(38-17)33-13-31-18-21(27)29-12-30-22(18)33/h1-4,12-13,16-17,19-20,23,28,34-35H,5-11,26H2,(H,36,37)(H2,27,29,30)/t16-,17?,19+,20+,23+/m0/s1
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US Patent
n/an/a 4.10E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM227458
PNG
(US9333217, 75)
Show SMILES N[C@@H](CCN(CCNCCc1ccc(Cl)cc1)CC1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C24H33ClN8O5/c25-15-3-1-14(2-4-15)5-7-28-8-10-32(9-6-16(26)24(36)37)11-17-19(34)20(35)23(38-17)33-13-31-18-21(27)29-12-30-22(18)33/h1-4,12-13,16-17,19-20,23,28,34-35H,5-11,26H2,(H,36,37)(H2,27,29,30)/t16-,17?,19+,20+,23+/m0/s1
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US Patent
n/an/a 7.18E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM227458
PNG
(US9333217, 75)
Show SMILES N[C@@H](CCN(CCNCCc1ccc(Cl)cc1)CC1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C24H33ClN8O5/c25-15-3-1-14(2-4-15)5-7-28-8-10-32(9-6-16(26)24(36)37)11-17-19(34)20(35)23(38-17)33-13-31-18-21(27)29-12-30-22(18)33/h1-4,12-13,16-17,19-20,23,28,34-35H,5-11,26H2,(H,36,37)(H2,27,29,30)/t16-,17?,19+,20+,23+/m0/s1
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US Patent
n/an/a 7.56E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit...


Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM227458
PNG
(US9333217, 75)
Show SMILES N[C@@H](CCN(CCNCCc1ccc(Cl)cc1)CC1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C24H33ClN8O5/c25-15-3-1-14(2-4-15)5-7-28-8-10-32(9-6-16(26)24(36)37)11-17-19(34)20(35)23(38-17)33-13-31-18-21(27)29-12-30-22(18)33/h1-4,12-13,16-17,19-20,23,28,34-35H,5-11,26H2,(H,36,37)(H2,27,29,30)/t16-,17?,19+,20+,23+/m0/s1
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US Patent
n/an/a 8.95E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit...


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