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Patent code US9556157

Compile Data Set for Download or QSAR
Found 6 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))
BDBM227712
PNG
(US9556157, 3 | n-((5-amino-2,6-dimethyl-4-oxo-1,4-...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(C)[nH]c(C)c(N)c2=O)c1C
Show InChI InChI=1S/C24H37N5O2S/c1-7-29(18-10-8-17(9-11-18)28(5)6)24-14(2)20(13-32-24)23(31)26-12-19-15(3)27-16(4)21(25)22(19)30/h13,17-18H,7-12,25H2,1-6H3,(H,26,31)(H,27,30)/t17-,18-
PDB

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UniProtKB/SwissProt

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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No.2) Limited

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US9556157 (2017)

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


(Homo sapiens (Human))
BDBM227712
PNG
(US9556157, 3 | n-((5-amino-2,6-dimethyl-4-oxo-1,4-...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(C)[nH]c(C)c(N)c2=O)c1C
Show InChI InChI=1S/C24H37N5O2S/c1-7-29(18-10-8-17(9-11-18)28(5)6)24-14(2)20(13-32-24)23(31)26-12-19-15(3)27-16(4)21(25)22(19)30/h13,17-18H,7-12,25H2,1-6H3,(H,26,31)(H,27,30)/t17-,18-
PDB

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US Patent
n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No.2) Limited

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US9556157 (2017)

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


(Homo sapiens (Human))
BDBM227711
PNG
(US9556157, 2 | n-((2,6-dimethyl-4-oxo-1,4-dihydrop...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(C)[nH]c(C)cc2=O)c1C
Show InChI InChI=1S/C24H36N4O2S/c1-7-28(19-10-8-18(9-11-19)27(5)6)24-16(3)21(14-31-24)23(30)25-13-20-17(4)26-15(2)12-22(20)29/h12,14,18-19H,7-11,13H2,1-6H3,(H,25,30)(H,26,29)/t18-,19-
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
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US Patent
n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No.2) Limited

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US9556157 (2017)

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


(Homo sapiens (Human))
BDBM227711
PNG
(US9556157, 2 | n-((2,6-dimethyl-4-oxo-1,4-dihydrop...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(C)[nH]c(C)cc2=O)c1C
Show InChI InChI=1S/C24H36N4O2S/c1-7-28(19-10-8-18(9-11-19)27(5)6)24-16(3)21(14-31-24)23(30)25-13-20-17(4)26-15(2)12-22(20)29/h12,14,18-19H,7-11,13H2,1-6H3,(H,25,30)(H,26,29)/t18-,19-
PDB

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UniProtKB/SwissProt

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



GlaxoSmithKline Intellectual Property (No.2) Limited

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US9556157 (2017)

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


(Homo sapiens (Human))
BDBM227713
PNG
(2-bromo-n-((2,6-dimethyl-4-oxo-1,4-dihydropyridin-...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1sc(Br)c(C(=O)NCc2c(C)[nH]c(C)cc2=O)c1C
Show InChI InChI=1S/C24H35BrN4O2S/c1-7-29(18-10-8-17(9-11-18)28(5)6)24-15(3)21(22(25)32-24)23(31)26-13-19-16(4)27-14(2)12-20(19)30/h12,17-18H,7-11,13H2,1-6H3,(H,26,31)(H,27,30)/t17-,18-
PDB

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PC sid
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No.2) Limited

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US9556157 (2017)

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


(Homo sapiens (Human))
BDBM227710
PNG
( N-((2,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)me...)
Show SMILES CCN(C1CCOCC1)c1scc(C(=O)NCc2c(C)[nH]c(C)cc2=O)c1C
Show InChI InChI=1S/C21H29N3O3S/c1-5-24(16-6-8-27-9-7-16)21-14(3)18(12-28-21)20(26)22-11-17-15(4)23-13(2)10-19(17)25/h10,12,16H,5-9,11H2,1-4H3,(H,22,26)(H,23,25)
PDB

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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No.2) Limited

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US9556157 (2017)

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