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Compile Data Set for Download or QSAR

Found 844 hits with Last Name = 'côté' and Initial = 'a'   
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))
BDBM542482
PNG
(US11274095, Example 14-Enantiomer-1 | US11274095, ...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCN(CC(F)(F)F)CC1
PDB

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UniProtKB/SwissProt

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n/an/a 0.0370n/an/an/an/an/an/a


TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542469
PNG
(US11274095, Example 4)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2O[C@@](C)(Oc2c1C)[C@H]1CC[C@@H](CC1)N(C)C |r,wU:29.35,wD:20.21,26.29,(-4.77,-4.46,;-4.77,-2.92,;-6.11,-2.15,;-7.44,-2.92,;-8.77,-2.15,;-10.11,-2.92,;-8.77,-.61,;-7.44,.16,;-7.44,1.7,;-6.11,-.61,;-4.77,.16,;-3.44,-.61,;-2.11,.16,;-2.11,1.7,;-.77,-.61,;-.77,-2.15,;.56,-2.92,;.56,-4.46,;1.9,-2.15,;3.36,-2.63,;4.26,-1.38,;5.35,-2.47,;3.36,-.14,;1.9,-.61,;.56,.16,;.56,1.7,;5.35,-.29,;6.84,-.69,;7.93,.4,;7.53,1.89,;6.04,2.28,;4.96,1.19,;8.62,2.97,;10.11,2.58,;8.22,4.46,)|
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n/an/a 0.0380n/an/an/an/an/an/a


TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542475
PNG
(7-chloro-N-((4-chloro-6-methyl-2-oxo-1,2-dihydropy...)
Show SMILES Cc1cc(Cl)c(CNC(=O)c2cc(Cl)c3OC(C)(Oc3c2C)C2CCC(CC2)N2CC(C2)OC2CC2)c(=O)[nH]1 |(-12.17,-3.49,;-10.83,-2.72,;-9.5,-3.49,;-8.17,-2.72,;-6.83,-3.49,;-8.17,-1.18,;-6.83,-.41,;-5.5,-1.18,;-4.16,-.41,;-4.16,1.13,;-2.83,-1.18,;-2.83,-2.72,;-1.5,-3.49,;-1.5,-5.03,;-.16,-2.72,;1.3,-3.2,;2.21,-1.95,;3.3,-3.04,;1.3,-.71,;-.16,-1.18,;-1.5,-.41,;-1.5,1.13,;3.3,-.86,;4.78,-1.26,;5.87,-.17,;5.47,1.31,;3.99,1.71,;2.9,.62,;6.56,2.4,;8.1,2.4,;8.1,3.94,;6.56,3.94,;9.19,5.03,;10.68,4.63,;11.77,3.54,;12.17,5.03,;-9.5,-.41,;-9.5,1.13,;-10.83,-1.18,)|
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n/an/a 0.0390n/an/an/an/an/an/a


TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542486
PNG
(7-chloro-2-(4-(3-methoxyazetidin-1-yl)cyclohexyl)-...)
Show SMILES COC1CN(C1)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(SC)cc(C)[nH]c1=O |(11.42,4.63,;9.94,5.03,;8.85,3.94,;8.85,2.4,;7.31,2.4,;7.31,3.94,;6.22,1.31,;6.62,-.17,;5.53,-1.26,;4.04,-.86,;3.64,.62,;4.73,1.71,;2.95,-1.95,;4.04,-3.04,;2.05,-3.2,;.58,-2.72,;.58,-1.18,;2.05,-.71,;-.75,-.41,;-.75,1.13,;-2.09,-1.18,;-2.09,-2.72,;-.75,-3.49,;-.75,-5.03,;-3.42,-.41,;-3.42,1.13,;-4.75,-1.18,;-6.09,-.41,;-7.42,-1.18,;-7.42,-2.72,;-6.09,-3.49,;-6.09,-5.03,;-8.76,-3.49,;-10.09,-2.72,;-11.42,-3.49,;-10.09,-1.18,;-8.76,-.41,;-8.76,1.13,)|
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n/an/a 0.0430n/an/an/an/an/an/a


TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542470
PNG
(US11274095, Example 5)
Show SMILES CSc1nc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2O[C@@](C)(Oc2c1C)[C@H]1CC[C@@H](CC1)N(C)C |r,wU:29.35,wD:20.21,26.29,(-4.77,-4.46,;-4.77,-2.92,;-6.11,-2.15,;-7.44,-2.92,;-8.77,-2.15,;-10.11,-2.92,;-8.77,-.61,;-7.44,.16,;-7.44,1.7,;-6.11,-.61,;-4.77,.16,;-3.44,-.61,;-2.11,.16,;-2.11,1.7,;-.77,-.61,;-.77,-2.15,;.56,-2.92,;.56,-4.46,;1.9,-2.15,;3.36,-2.63,;4.26,-1.38,;5.35,-2.47,;3.36,-.14,;1.9,-.61,;.56,.16,;.56,1.7,;5.35,-.29,;6.84,-.69,;7.93,.4,;7.53,1.89,;6.04,2.28,;4.96,1.19,;8.62,2.97,;10.11,2.58,;8.22,4.46,)|
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n/an/a 0.0540n/an/an/an/an/an/a


TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542476
PNG
(US11274095, Example 9)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)N1CC(C1)OC1CC1 |(-6.83,-5.03,;-6.83,-3.49,;-8.17,-2.72,;-9.5,-3.49,;-10.83,-2.72,;-12.17,-3.49,;-10.83,-1.18,;-9.5,-.41,;-9.5,1.13,;-8.17,-1.18,;-6.83,-.41,;-5.5,-1.18,;-4.16,-.41,;-4.16,1.13,;-2.83,-1.18,;-2.83,-2.72,;-1.5,-3.49,;-1.5,-5.03,;-.16,-2.72,;1.3,-3.2,;2.21,-1.95,;3.3,-3.04,;1.3,-.71,;-.16,-1.18,;-1.5,-.41,;-1.5,1.13,;3.3,-.86,;4.78,-1.26,;5.87,-.17,;5.47,1.31,;3.99,1.71,;2.9,.62,;6.56,2.4,;8.1,2.4,;8.1,3.94,;6.56,3.94,;9.19,5.03,;10.68,4.63,;11.77,3.54,;12.17,5.03,)|
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TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542481
PNG
(US11274095, Example 13)
Show SMILES Cc1cc(Cl)c(CNC(=O)c2cc(Cl)c3OC(C)(Oc3c2C)C2CCC(CC2)N2CC(C2)OC(F)F)c(=O)[nH]1 |(-11.97,-3.84,;-10.63,-3.07,;-9.3,-3.84,;-7.97,-3.07,;-6.63,-3.84,;-7.97,-1.53,;-6.63,-.76,;-5.3,-1.53,;-3.96,-.76,;-3.96,.78,;-2.63,-1.53,;-2.63,-3.07,;-1.3,-3.84,;-1.3,-5.38,;.04,-3.07,;1.5,-3.54,;2.41,-2.3,;3.49,-3.39,;1.5,-1.05,;.04,-1.53,;-1.3,-.76,;-1.3,.78,;3.49,-1.21,;4.98,-1.61,;6.07,-.52,;5.67,.97,;4.19,1.37,;3.1,.28,;6.76,2.06,;8.3,2.06,;8.3,3.6,;6.76,3.6,;9.39,4.69,;10.88,4.29,;11.97,5.38,;11.28,2.8,;-9.3,-.76,;-9.3,.78,;-10.63,-1.53,)|
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UniProtKB/SwissProt

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n/an/a 0.0840n/an/an/an/an/an/a


TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542466
PNG
(US11274095, Example 1)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)N1CC(C1)OC(F)F |(-6.63,-5.38,;-6.63,-3.84,;-7.97,-3.07,;-9.3,-3.84,;-10.63,-3.07,;-11.97,-3.84,;-10.63,-1.53,;-9.3,-.76,;-9.3,.78,;-7.97,-1.53,;-6.63,-.76,;-5.3,-1.53,;-3.96,-.76,;-3.96,.78,;-2.63,-1.53,;-2.63,-3.07,;-1.3,-3.84,;-1.3,-5.38,;.04,-3.07,;1.5,-3.54,;2.41,-2.3,;3.49,-3.39,;1.5,-1.05,;.04,-1.53,;-1.3,-.76,;-1.3,.78,;3.49,-1.21,;4.98,-1.61,;6.07,-.52,;5.67,.97,;4.19,1.37,;3.1,.28,;6.76,2.06,;8.3,2.06,;8.3,3.6,;6.76,3.6,;9.39,4.69,;10.88,4.29,;11.97,5.38,;11.28,2.8,)|
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n/an/a 0.0910n/an/an/an/an/an/a


TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542480
PNG
(US11274095, Example 12)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)N1CC(F)C1 |(-5.34,-5.03,;-5.34,-3.49,;-6.68,-2.72,;-8.01,-3.49,;-9.35,-2.72,;-10.68,-3.49,;-9.35,-1.18,;-8.01,-.41,;-8.01,1.13,;-6.68,-1.18,;-5.34,-.41,;-4.01,-1.18,;-2.68,-.41,;-2.68,1.13,;-1.34,-1.18,;-1.34,-2.72,;-.01,-3.49,;-.01,-5.03,;1.32,-2.72,;2.79,-3.2,;3.69,-1.95,;4.78,-3.04,;2.79,-.71,;1.32,-1.18,;-.01,-.41,;-.01,1.13,;4.78,-.86,;6.27,-1.26,;7.36,-.17,;6.96,1.31,;5.47,1.71,;4.38,.62,;8.05,2.4,;9.59,2.4,;9.59,3.94,;10.68,5.03,;8.05,3.94,)|
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n/an/a 0.0920n/an/an/an/an/an/a


TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542473
PNG
(US11274095, Example 7-Enantiomer-1 | US11274095, E...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)N1CC(F)(F)C1 |(-5.54,-5.23,;-5.54,-3.69,;-6.88,-2.92,;-8.21,-3.69,;-9.54,-2.92,;-10.88,-3.69,;-9.54,-1.38,;-8.21,-.61,;-8.21,.93,;-6.88,-1.38,;-5.54,-.61,;-4.21,-1.38,;-2.88,-.61,;-2.88,.93,;-1.54,-1.38,;-1.54,-2.92,;-.21,-3.69,;-.21,-5.23,;1.13,-2.92,;2.59,-3.4,;3.49,-2.15,;4.58,-3.24,;2.59,-.91,;1.13,-1.38,;-.21,-.61,;-.21,.93,;4.58,-1.06,;6.07,-1.46,;7.16,-.37,;6.76,1.12,;5.27,1.51,;4.19,.42,;7.85,2.2,;9.39,2.2,;9.39,3.74,;9.79,5.23,;10.88,4.14,;7.85,3.74,)|
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TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542471
PNG
(US11274095, Example 6-Enantiomer-1 | US11274095, E...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)NC1(COC1)C(F)(F)F |(8.89,-3.03,;10.22,-2.26,;10.22,-.72,;11.56,.05,;11.56,1.59,;12.89,2.36,;10.22,2.36,;8.89,1.59,;7.55,2.36,;8.89,.05,;7.55,-.72,;6.22,.05,;4.89,-.72,;4.89,-2.26,;3.55,.05,;3.55,1.59,;2.22,2.36,;2.22,3.9,;.89,1.59,;-.58,2.06,;-1.48,.82,;-2.83,1.57,;-.58,-.43,;.89,.05,;2.22,-.72,;2.22,-2.26,;-2.83,.06,;-2.84,-1.48,;-4.18,-2.24,;-5.51,-1.45,;-5.49,.09,;-4.15,.84,;-6.85,-2.21,;-6.87,-3.75,;-6.88,-5.29,;-5.34,-5.3,;-5.33,-3.76,;-8.41,-3.73,;-9.95,-3.72,;-8.39,-2.19,;-8.42,-5.27,)|
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TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542478
PNG
(US11274095, Example 11-isomer-1 | US11274095, Exam...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)NC1(CF)COC1 |(-6.06,-4.06,;-6.06,-2.52,;-7.4,-1.75,;-8.73,-2.52,;-10.06,-1.75,;-11.4,-2.52,;-10.06,-.21,;-8.73,.56,;-8.73,2.1,;-7.4,-.21,;-6.06,.56,;-4.73,-.21,;-3.39,.56,;-3.39,2.1,;-2.06,-.21,;-2.06,-1.75,;-.73,-2.52,;-.73,-4.06,;.61,-1.75,;2.07,-2.23,;2.98,-.98,;4.07,-2.07,;2.07,.26,;.61,-.21,;-.73,.56,;-.73,2.1,;4.07,.11,;5.55,-.29,;6.64,.8,;6.24,2.28,;4.76,2.68,;3.67,1.59,;7.33,3.37,;8.82,2.97,;9.91,4.06,;11.4,3.66,;8.05,1.64,;9.38,.87,;10.15,2.2,)|
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TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542478
PNG
(US11274095, Example 11-isomer-1 | US11274095, Exam...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)NC1(CF)COC1 |(-6.06,-4.06,;-6.06,-2.52,;-7.4,-1.75,;-8.73,-2.52,;-10.06,-1.75,;-11.4,-2.52,;-10.06,-.21,;-8.73,.56,;-8.73,2.1,;-7.4,-.21,;-6.06,.56,;-4.73,-.21,;-3.39,.56,;-3.39,2.1,;-2.06,-.21,;-2.06,-1.75,;-.73,-2.52,;-.73,-4.06,;.61,-1.75,;2.07,-2.23,;2.98,-.98,;4.07,-2.07,;2.07,.26,;.61,-.21,;-.73,.56,;-.73,2.1,;4.07,.11,;5.55,-.29,;6.64,.8,;6.24,2.28,;4.76,2.68,;3.67,1.59,;7.33,3.37,;8.82,2.97,;9.91,4.06,;11.4,3.66,;8.05,1.64,;9.38,.87,;10.15,2.2,)|
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TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542477
PNG
(US11274095, Example 10)
Show SMILES CSc1nc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)N1CC(C1)OC(F)F |(-6.63,-5.38,;-6.63,-3.84,;-7.97,-3.07,;-9.3,-3.84,;-10.63,-3.07,;-11.97,-3.84,;-10.63,-1.53,;-9.3,-.76,;-9.3,.78,;-7.97,-1.53,;-6.63,-.76,;-5.3,-1.53,;-3.96,-.76,;-3.96,.78,;-2.63,-1.53,;-2.63,-3.07,;-1.3,-3.84,;-1.3,-5.38,;.04,-3.07,;1.5,-3.54,;2.41,-2.3,;3.49,-3.39,;1.5,-1.05,;.04,-1.53,;-1.3,-.76,;-1.3,.78,;3.49,-1.21,;4.98,-1.61,;6.07,-.52,;5.67,.97,;4.19,1.37,;3.1,.28,;6.76,2.06,;8.3,2.06,;8.3,3.6,;6.76,3.6,;9.39,4.69,;10.88,4.29,;11.97,5.38,;11.28,2.8,)|
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TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542484
PNG
(US11274095, Example 16-Enantiomer-1 | US11274095, ...)
Show SMILES Cc1cc(Cl)c(CNC(=O)c2cc(Cl)c3OC(C)(Oc3c2C)C2CCN(CC(F)(F)F)CC2)c(=O)[nH]1
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TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM542468
PNG
(US11274095, Example 3)
Show SMILES CSc1cc(Cl)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2O[C@@](C)(Oc2c1C)[C@H]1CC[C@@H](CC1)N(C)C |r,wU:29.35,wD:20.21,26.29,(-4.77,-4.46,;-4.77,-2.92,;-6.11,-2.15,;-7.44,-2.92,;-8.77,-2.15,;-10.11,-2.92,;-8.77,-.61,;-7.44,.16,;-7.44,1.7,;-6.11,-.61,;-4.77,.16,;-3.44,-.61,;-2.11,.16,;-2.11,1.7,;-.77,-.61,;-.77,-2.15,;.56,-2.92,;.56,-4.46,;1.9,-2.15,;3.36,-2.63,;4.26,-1.38,;5.35,-2.47,;3.36,-.14,;1.9,-.61,;.56,.16,;.56,1.7,;5.35,-.29,;6.84,-.69,;7.93,.4,;7.53,1.89,;6.04,2.28,;4.96,1.19,;8.62,2.97,;10.11,2.58,;8.22,4.46,)|
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TBA

Assay Description
EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N26MD
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574922
PNG
(1-((R)-1-(4-(3-fluoroazetidin-1-yl)cyclohexyl)ethy...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC(F)C2)c2ncccc12 |wU:18.19,(1.96,-3.26,;3.45,-3.66,;3.85,-5.15,;5.34,-5.54,;5.74,-7.03,;7.22,-7.43,;4.65,-8.12,;3.16,-7.72,;2.07,-8.81,;2.76,-6.24,;1.27,-5.84,;.87,-4.35,;-.61,-3.95,;-1.7,-5.04,;-1.09,-2.49,;-.18,-1.24,;1.36,-1.24,;-1.09,.01,;-.61,1.47,;.89,1.79,;-1.64,2.62,;-3.15,2.3,;-4.18,3.44,;-3.7,4.9,;-2.2,5.22,;-1.17,4.08,;-4.74,6.05,;-6.27,6.13,;-6.19,7.67,;-7.22,8.81,;-4.65,7.59,;-2.55,-.47,;-3.89,.3,;-5.22,-.47,;-5.22,-2.01,;-3.89,-2.78,;-2.55,-2.01,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574923
PNG
((R)-1-(1-(1-(3-fluorocyclobutyl)piperidin-4-yl)eth...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)C2CC(F)C2)c2ncccc12 |wU:18.19,(.73,-8.42,;2.23,-8.74,;3.27,-7.59,;4.77,-7.91,;5.8,-6.77,;7.31,-7.09,;5.33,-5.3,;3.82,-4.98,;3.34,-3.52,;2.79,-6.13,;1.28,-5.81,;.81,-4.34,;-.7,-4.02,;-1.73,-5.17,;-1.17,-2.56,;-.27,-1.31,;1.27,-1.31,;-1.17,-.07,;-.7,1.4,;.81,1.72,;-1.73,2.54,;-1.25,4.01,;-2.28,5.15,;-3.79,4.83,;-4.27,3.37,;-3.24,2.22,;-4.82,5.98,;-6.36,6.06,;-6.28,7.59,;-7.31,8.74,;-4.74,7.51,;-2.64,-.54,;-3.97,.23,;-5.31,-.54,;-5.31,-2.08,;-3.97,-2.85,;-2.64,-2.08,)|
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Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574924
PNG
(1-((R)-1-(4-(2-methoxyethoxy)cyclohex-yl)ethyl)-2-...)
Show SMILES COCCOC1CC[C@@H](CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |wU:11.12,8.7,(7.86,-4.14,;6.37,-3.74,;5.28,-4.83,;3.79,-4.43,;2.7,-5.52,;1.22,-5.12,;.82,-3.63,;-.67,-3.23,;-1.76,-4.32,;-1.36,-5.81,;.13,-6.21,;-3.25,-3.93,;-4.34,-5.01,;-3.72,-2.46,;-2.82,-1.21,;-1.28,-1.21,;-3.72,.03,;-3.25,1.5,;-4.28,2.64,;-1.74,1.82,;-1.27,3.28,;.24,3.6,;.72,5.07,;-.31,6.21,;-1.82,5.89,;2.22,5.39,;3.25,4.24,;4.76,4.56,;2.78,2.78,;1.27,2.46,;.8,.99,;-5.19,-.44,;-6.52,.33,;-7.86,-.44,;-7.86,-1.98,;-6.52,-2.75,;-5.19,-1.98,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574925
PNG
(1-((R)-1-(4-(2-methoxyethoxy)cyclohex-yl)ethyl)-2-...)
Show SMILES COCCOC1CC[C@@H](CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |wU:11.12,wD:8.8,(7.86,-4.14,;6.37,-3.74,;5.28,-4.83,;3.79,-4.43,;2.7,-5.52,;1.22,-5.12,;.13,-6.21,;-1.36,-5.81,;-1.76,-4.32,;-.67,-3.23,;.82,-3.63,;-3.25,-3.93,;-4.34,-5.01,;-3.72,-2.46,;-2.82,-1.21,;-1.28,-1.21,;-3.72,.03,;-3.25,1.5,;-4.28,2.64,;-1.74,1.82,;-1.27,3.28,;.24,3.6,;.72,5.07,;-.31,6.21,;-1.82,5.89,;2.22,5.39,;3.25,4.24,;4.76,4.56,;2.78,2.78,;1.27,2.46,;.8,.99,;-5.19,-.44,;-6.52,.33,;-7.86,-.44,;-7.86,-1.98,;-6.52,-2.75,;-5.19,-1.98,)|
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Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574926
PNG
(7-((R)-1-(4-(3-fluoroazetidin-1-yl)cyclohexyl)ethy...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC(F)C2)c2ncncc12 |wU:18.19,(1.96,-3.26,;3.45,-3.66,;3.85,-5.15,;5.34,-5.54,;5.74,-7.03,;7.22,-7.43,;4.65,-8.12,;3.16,-7.72,;2.07,-8.81,;2.76,-6.24,;1.27,-5.84,;.87,-4.35,;-.61,-3.95,;-1.7,-5.04,;-1.09,-2.49,;-.18,-1.24,;1.36,-1.24,;-1.09,.01,;-.61,1.47,;.89,1.79,;-1.64,2.62,;-3.15,2.3,;-4.18,3.44,;-3.7,4.9,;-2.2,5.22,;-1.17,4.08,;-4.74,6.05,;-6.27,6.13,;-6.19,7.67,;-7.22,8.81,;-4.65,7.59,;-2.55,-.47,;-3.89,.3,;-5.22,-.47,;-5.22,-2.01,;-3.89,-2.78,;-2.55,-2.01,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574927
PNG
((R)-5-chloro-1-(1-(1-cyclopropylpiperidin-4-yl)eth...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)C2CC2)c2ncc(Cl)cc12
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574928
PNG
(1-((R)-1-((R)-1-cyclopropyl-3,3-difluoropiperidin-...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCN(CC2(F)F)C2CC2)c2ncccc12
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574930
PNG
(2-methyl-1-((R)-1-((2S,4S)-1-methyl-2-(trifluorome...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCN(C)[C@@H](C2)C(F)(F)F)c2ccccc12
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Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574931
PNG
(2-methyl-N-((6-methyl-4-(methylthio)-2-oxo-1,2-dih...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CCCC2=O)c2ccccc12 |wU:18.19,(-.49,6.26,;1.02,6.58,;2.05,5.44,;3.56,5.76,;4.59,4.61,;6.09,4.94,;4.11,3.15,;2.6,2.83,;2.13,1.37,;1.57,3.97,;.07,3.65,;-.41,2.19,;-1.92,1.87,;-2.95,3.01,;-2.39,.4,;-1.49,-.84,;.05,-.84,;-2.39,-2.09,;-1.92,-3.55,;-3,-4.64,;-.43,-3.95,;.66,-2.86,;2.15,-3.26,;2.55,-4.75,;1.46,-5.84,;-.03,-5.44,;4.03,-5.15,;4.59,-6.58,;6.12,-6.5,;6.52,-5.02,;5.23,-4.18,;5.23,-2.64,;-3.86,-1.61,;-5.19,-2.38,;-6.52,-1.61,;-6.52,-.07,;-5.19,.7,;-3.86,-.07,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574932
PNG
((R)-6-methyl-N-((6-methyl-4-(methylthio)-2-oxo-1,2...)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ncncc12
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574845
PNG
(US11459315, Example 7 (isomer 2))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2OCC(CO2)N(C)C)c2ccccc12 |r,wU:20.26,wD:18.19,(-3.92,-1.65,;-3.92,-.11,;-5.25,.7,;-6.47,-.04,;-7.9,.7,;-9.19,-.04,;-7.91,2.21,;-6.62,2.98,;-6.62,4.52,;-5.22,2.25,;-3.93,3.02,;-2.6,2.21,;-1.28,3.02,;-1.28,4.56,;.12,2.28,;1.48,2.87,;1.78,4.46,;2.52,1.69,;3.99,1.91,;4.65,3.31,;4.95,.7,;6.46,.74,;7.22,-.5,;6.74,-1.91,;5.2,-1.99,;4.32,-.81,;7.66,-3.14,;7.06,-4.56,;9.19,-2.96,;1.71,.4,;2.18,-1.11,;1.23,-2.17,;-.28,-1.88,;-.73,-.37,;.23,.7,)|
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Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574846
PNG
(US11459315, Example 8)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C23CC(C2)(C3)NC2COC2)c2ccccc12 |r|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574847
PNG
(US11459315, Example 9)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C23CC(C2)(C3)N(C)C2COC2)c2ccccc12 |r|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574848
PNG
(US11459315, Example 10)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C23CC(C2)(C3)N(C)CC(F)(F)F)c2ccccc12 |r|
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Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50541902
PNG
(CHEMBL4635809 | US11459315, Example 11)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(C)(C)O)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C29H40N4O3S/c1-18-15-25(37-6)23(27(34)31-18)16-30-28(35)26-20(3)33(24-10-8-7-9-22(24)26)19(2)21-11-13-32(14-12-21)17-29(4,5)36/h7-10,15,19,21,36H,11-14,16-17H2,1-6H3,(H,30,35)(H,31,34)/t19-/m1/s1
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50541895
PNG
(CHEMBL4639616 | US11459315, Example 12)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12 |r|
Show InChI InChI=1S/C27H33F3N4O2S/c1-16-13-23(37-4)21(25(35)32-16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-/m1/s1
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574851
PNG
(US11459315, Example 13)
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12 |r|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574852
PNG
(US11459315, Example 14 (isomer 1))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2COC2)c2ccccc12 |r|
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Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574854
PNG
(US11459315, Example 15 (isomer 1))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2OCC(CO2)N2CCC2(C)C)c2ccccc12 |r,wD:20.21,18.19,(-4.73,-1.5,;-4.73,.04,;-6.09,.86,;-7.34,.11,;-8.73,.86,;-10.02,.07,;-8.74,2.37,;-7.42,3.15,;-7.42,4.66,;-6.06,2.4,;-4.73,3.19,;-3.41,2.37,;-2.08,3.15,;-2.08,4.69,;-.68,2.44,;.68,3.05,;1.03,4.59,;1.71,1.83,;3.22,2.04,;3.9,3.44,;4.19,.86,;3.54,-.64,;4.28,-1.75,;6.08,-1.71,;6.47,-.35,;5.73,.9,;6.91,-3.01,;6.69,-4.47,;8.2,-4.69,;8.41,-3.15,;8.84,-1.64,;10.02,-3.15,;.93,.54,;1.39,-.93,;.39,-2,;-1.08,-1.68,;-1.51,-.21,;-.54,.9,)|
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Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574855
PNG
(US11459315, Example 15 (isomer 2))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2OCC(CO2)N2CCC2(C)C)c2ccccc12 |r,wU:20.26,wD:18.19,(-4.73,-1.5,;-4.73,.04,;-6.09,.86,;-7.34,.11,;-8.73,.86,;-10.02,.07,;-8.74,2.37,;-7.42,3.15,;-7.42,4.66,;-6.06,2.4,;-4.73,3.19,;-3.41,2.37,;-2.08,3.15,;-2.08,4.69,;-.68,2.44,;.68,3.05,;1.03,4.59,;1.72,1.83,;3.22,2.04,;3.9,3.44,;4.19,.86,;5.73,.9,;6.47,-.35,;6.08,-1.71,;4.28,-1.75,;3.54,-.64,;6.91,-3.01,;6.69,-4.47,;8.2,-4.69,;8.41,-3.15,;8.84,-1.65,;10.02,-3.15,;.93,.54,;1.39,-.93,;.39,-2,;-1.08,-1.68,;-1.51,-.21,;-.54,.9,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574856
PNG
(US11459315, Example 16 (isomer 1))
Show SMILES COCCN(C)C1CO[C@@H](OC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wD:9.8,12.13,(11.07,-4.93,;10.13,-3.7,;8.55,-3.74,;7.6,-2.52,;6.07,-2.76,;5.52,-4.14,;5.12,-1.38,;3.62,-1.54,;2.68,-.43,;3.35,1.1,;4.89,1.18,;5.79,.04,;2.4,2.32,;3.07,3.74,;.87,2.09,;-.2,3.31,;.16,4.89,;-1.54,2.72,;-2.95,3.43,;-2.95,4.93,;-4.29,2.6,;-5.63,3.47,;-7.01,2.68,;-7.01,1.14,;-5.67,.28,;-5.67,-1.27,;-8.31,.35,;-9.78,1.14,;-11.07,.32,;-9.77,2.6,;-8.35,3.43,;-8.35,4.93,;-1.42,1.18,;-2.4,.04,;-1.97,-1.46,;-.47,-1.77,;.55,-.63,;.08,.83,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574858
PNG
(US11459315, Example 17)
Show SMILES CNC1COC(OC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wD:8.9,(9.49,-3.61,;7.48,-3.84,;6.68,-2.59,;5.18,-2.76,;4.24,-1.56,;4.88,-.06,;6.45,.01,;7.35,-1.16,;3.94,1.15,;4.61,2.55,;2.41,.95,;1.34,2.15,;1.7,3.72,;,1.55,;-1.4,2.28,;-1.4,3.82,;-2.74,1.48,;-4.07,2.32,;-5.41,1.52,;-5.43,-.02,;-4.03,-.86,;-4.03,-2.42,;-6.67,-.79,;-8.15,-.02,;-9.49,-.79,;-8.15,1.48,;-6.81,2.28,;-6.81,3.84,;.13,-.06,;-.83,-1.16,;-.4,-2.63,;1.1,-2.96,;2.1,-1.86,;1.6,-.36,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574859
PNG
(US11459315, Example 18 (isomer 1))
Show SMILES COC1CC[C@@H](CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wD:5.8,8.9,(9.28,-3.6,;7.71,-3.86,;6.76,-2.5,;5.29,-2.69,;4.38,-1.48,;4.97,-.06,;6.5,.13,;7.38,-1.12,;4.02,1.19,;4.67,2.61,;2.52,.97,;1.46,2.17,;1.82,3.74,;.11,1.59,;-1.28,2.32,;-1.28,3.82,;-2.6,1.51,;-3.95,2.32,;-5.26,1.55,;-5.29,.02,;-3.94,-.82,;-3.94,-2.36,;-6.5,-.71,;-7.96,.02,;-9.28,-.71,;-7.97,1.51,;-6.65,2.32,;-6.65,3.86,;.25,-.02,;-.73,-1.08,;-.3,-2.58,;1.24,-2.87,;2.19,-1.81,;1.71,-.31,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574860
PNG
(US11459315, Example 18 (isomer 2))
Show SMILES COC1CC[C@@H](CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:5.8,wD:8.9,(9.28,-3.6,;7.71,-3.86,;6.76,-2.5,;7.38,-1.12,;6.5,.13,;4.97,-.06,;4.38,-1.48,;5.3,-2.69,;4.02,1.19,;4.67,2.61,;2.52,.97,;1.46,2.17,;1.82,3.74,;.11,1.59,;-1.28,2.32,;-1.28,3.82,;-2.6,1.52,;-3.95,2.32,;-5.27,1.55,;-5.3,.02,;-3.94,-.82,;-3.94,-2.36,;-6.5,-.71,;-7.96,.02,;-9.28,-.71,;-7.97,1.52,;-6.66,2.32,;-6.66,3.86,;.25,-.02,;-.73,-1.08,;-.3,-2.58,;1.24,-2.87,;2.19,-1.81,;1.71,-.31,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574861
PNG
(US11459315, Example 19 (isomer 1))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(O)CC2)c2ccccc12 |r,wD:20.20,18.19,(-3.19,-2.36,;-3.19,-.82,;-4.51,.02,;-5.76,-.71,;-7.22,.02,;-8.54,-.71,;-7.23,1.49,;-5.91,2.33,;-5.91,3.87,;-4.48,1.56,;-3.19,2.33,;-1.84,1.49,;-.52,2.33,;-.52,3.87,;.92,1.6,;2.31,2.18,;2.6,3.72,;3.34,.97,;4.84,1.19,;5.5,2.59,;5.79,-.05,;5.21,-1.52,;6.12,-2.69,;7.59,-2.51,;8.54,-3.87,;8.21,-1.12,;7.33,.09,;2.53,-.31,;3.01,-1.81,;2.02,-2.88,;.51,-2.58,;.07,-1.08,;1.03,-.02,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574862
PNG
(US11459315, Example 19 (isomer 2))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(O)CC2)c2ccccc12 |r,wU:20.20,wD:18.19,(-3.19,-2.36,;-3.19,-.82,;-4.51,.02,;-5.76,-.71,;-7.22,.02,;-8.54,-.71,;-7.23,1.49,;-5.91,2.33,;-5.91,3.87,;-4.48,1.56,;-3.19,2.33,;-1.84,1.49,;-.52,2.33,;-.52,3.87,;.92,1.6,;2.31,2.18,;2.6,3.72,;3.34,.97,;4.84,1.19,;5.5,2.59,;5.79,-.05,;7.33,.09,;8.21,-1.12,;7.59,-2.51,;8.54,-3.87,;6.12,-2.69,;5.21,-1.52,;2.53,-.31,;3.01,-1.81,;2.02,-2.88,;.51,-2.58,;.07,-1.08,;1.03,-.02,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574863
PNG
(US11459315, Example 20 (isomer 1))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N2CC(C2)OC(F)F)c2ccccc12 |r,wD:20.20,18.19,(-5.42,-.33,;-5.42,1.19,;-6.8,2.03,;-8.07,1.27,;-9.5,2.03,;-10.8,1.31,;-9.5,3.49,;-8.15,4.32,;-8.15,5.85,;-6.81,3.57,;-5.46,4.32,;-4.12,3.49,;-2.81,4.32,;-2.81,5.85,;-1.42,3.61,;-.08,4.2,;.28,5.71,;.99,2.98,;2.49,3.21,;3.17,4.6,;3.44,1.99,;2.85,.56,;3.72,-.63,;5.22,-.47,;5.86,.96,;4.99,2.14,;6.13,-1.81,;5.94,-3.24,;7.44,-3.48,;7.68,-1.97,;8.35,-4.78,;9.89,-4.5,;10.8,-5.85,;10.53,-3.24,;.2,1.75,;.67,.24,;-.32,-.82,;-1.82,-.51,;-2.26,.96,;-1.27,2.03,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574864
PNG
(US11459315, Example 20 (isomer 2))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N2CC(C2)OC(F)F)c2ccccc12 |r,wU:20.20,wD:18.19,(-5.42,-.33,;-5.42,1.19,;-6.8,2.03,;-8.07,1.27,;-9.5,2.03,;-10.8,1.31,;-9.5,3.49,;-8.15,4.32,;-8.15,5.85,;-6.81,3.57,;-5.46,4.32,;-4.12,3.49,;-2.81,4.32,;-2.81,5.85,;-1.42,3.61,;-.08,4.2,;.28,5.71,;.99,2.98,;2.49,3.21,;3.17,4.6,;3.44,1.99,;4.99,2.14,;5.86,.96,;5.22,-.47,;3.72,-.63,;2.85,.56,;6.13,-1.81,;5.94,-3.24,;7.44,-3.48,;7.68,-1.97,;8.35,-4.78,;9.89,-4.5,;10.8,-5.85,;10.53,-3.24,;.2,1.75,;.67,.24,;-.32,-.82,;-1.82,-.51,;-2.26,.96,;-1.27,2.03,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574865
PNG
(US11459315, Example 21 (isomer 1))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N2CC(C2)OC(F)(F)F)c2ccccc12 |r,wD:20.20,18.19,(-5.75,-.33,;-5.75,1.2,;-7.1,2.03,;-8.41,1.27,;-9.83,2.03,;-11.14,1.31,;-9.83,3.49,;-8.49,4.32,;-8.49,5.85,;-7.1,3.57,;-5.76,4.32,;-4.45,3.49,;-3.11,4.32,;-3.11,5.79,;-1.72,3.61,;-.38,4.2,;-.02,5.71,;.69,2.98,;2.2,3.21,;2.87,4.6,;3.15,1.99,;2.55,.56,;3.42,-.63,;4.93,-.47,;5.56,.96,;4.69,2.14,;5.84,-1.81,;5.68,-3.24,;7.14,-3.47,;7.38,-1.97,;8.05,-4.78,;9.6,-4.5,;10.51,-5.85,;10.23,-3.24,;11.14,-4.46,;-.14,1.75,;.34,.25,;-.65,-.82,;-2.12,-.51,;-2.55,.96,;-1.6,2.03,)|
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US Patent
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574866
PNG
(US11459315, Example 21 (isomer 2))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N2CC(C2)OC(F)(F)F)c2ccccc12 |r,wU:20.20,wD:18.19,(-5.75,-.33,;-5.75,1.2,;-7.1,2.03,;-8.41,1.27,;-9.83,2.03,;-11.14,1.31,;-9.83,3.49,;-8.49,4.32,;-8.49,5.85,;-7.1,3.57,;-5.76,4.32,;-4.45,3.49,;-3.11,4.32,;-3.11,5.79,;-1.72,3.61,;-.38,4.2,;-.02,5.71,;.69,2.98,;2.2,3.21,;2.87,4.6,;3.15,1.99,;4.69,2.14,;5.56,.96,;4.93,-.47,;3.42,-.63,;2.55,.56,;5.84,-1.81,;5.68,-3.24,;7.14,-3.47,;7.38,-1.97,;8.05,-4.78,;9.6,-4.5,;10.51,-5.85,;10.23,-3.24,;11.14,-4.46,;-.14,1.75,;.34,.25,;-.65,-.82,;-2.12,-.51,;-2.55,.96,;-1.6,2.03,)|
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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574867
PNG
(US11459315, Example 22 (isomer 1))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(C)(O)CC2)c2ccccc12 |r,wD:20.20,18.19,(-3.47,-2.34,;-3.47,-.8,;-4.82,.04,;-6.02,-.73,;-7.49,.04,;-8.76,-.73,;-7.49,1.5,;-6.18,2.3,;-6.18,3.84,;-4.79,1.57,;-3.47,2.34,;-2.16,1.5,;-.84,2.3,;-.84,3.84,;.54,1.61,;1.93,2.19,;2.26,3.73,;2.95,.99,;4.45,1.21,;5.11,2.59,;5.4,-.04,;4.82,-1.5,;5.7,-2.67,;7.23,-2.48,;8.76,-2.34,;8.11,-3.84,;7.78,-1.1,;6.94,.11,;2.15,-.29,;2.63,-1.79,;1.68,-2.89,;.14,-2.59,;-.3,-1.1,;.69,-0,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574868
PNG
(US11459315, Example 22 (isomer 2))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(C)(O)CC2)c2ccccc12 |r,wU:20.20,wD:18.19,(-3.47,-2.34,;-3.47,-.8,;-4.82,.04,;-6.02,-.73,;-7.49,.04,;-8.76,-.73,;-7.49,1.5,;-6.18,2.3,;-6.18,3.84,;-4.79,1.57,;-3.47,2.34,;-2.16,1.5,;-.84,2.3,;-.84,3.84,;.54,1.61,;1.93,2.19,;2.26,3.73,;2.95,.99,;4.45,1.21,;5.11,2.59,;5.4,-.04,;6.94,.11,;7.78,-1.1,;7.23,-2.48,;8.76,-2.34,;8.11,-3.84,;5.7,-2.67,;4.82,-1.5,;2.15,-.29,;2.63,-1.79,;1.68,-2.89,;.14,-2.59,;-.3,-1.1,;.69,-0,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574870
PNG
(US11459315, Example 23 (isomer 2))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N2CC(F)(F)C2)c2ccccc12 |r,wU:20.20,wD:18.19,(-4.58,-.81,;-4.58,.74,;-5.92,1.59,;-7.19,.82,;-8.62,1.59,;-9.93,.86,;-8.62,3.06,;-7.31,3.92,;-7.31,5.39,;-5.92,3.15,;-4.58,3.92,;-3.23,3.06,;-1.92,3.88,;-1.92,5.39,;-.53,3.19,;.82,3.76,;1.19,5.35,;1.88,2.53,;3.39,2.78,;4.09,4.21,;4.37,1.51,;5.88,1.67,;6.78,.45,;6.13,-.94,;4.62,-1.1,;3.76,.04,;7.11,-2.33,;6.9,-3.8,;8.42,-4.04,;9.32,-5.39,;9.93,-3.76,;8.62,-2.49,;1.06,1.27,;1.55,-.25,;.57,-1.35,;-.9,-1.02,;-1.35,.49,;-.41,1.59,)|
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM574871
PNG
(US11459315, Example 24 (isomer 1))
Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N2CC(F)C2)c2ccccc12 |r,wD:20.20,18.19,(-4.22,-.81,;-4.22,.73,;-5.59,1.57,;-6.88,.81,;-8.3,1.57,;-9.59,.85,;-8.3,3.03,;-6.96,3.88,;-6.96,5.33,;-5.59,3.11,;-4.26,3.88,;-2.93,3.03,;-1.59,3.84,;-1.59,5.33,;-.18,3.15,;1.15,3.72,;1.51,5.29,;2.2,2.5,;3.7,2.75,;4.38,4.16,;4.66,1.49,;4.06,.04,;4.95,-1.13,;6.44,-.97,;7.09,.44,;6.2,1.65,;7.41,-2.3,;7.21,-3.76,;8.66,-4,;9.59,-5.33,;8.91,-2.46,;1.39,1.25,;1.88,-.24,;.87,-1.33,;-.59,-1.01,;-1.03,.48,;-.06,1.57,)|
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UniProtKB/SwissProt

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PC cid
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US Patent
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TBA

Assay Description
Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...


Citation and Details

BindingDB Entry DOI: 10.7270/Q20Z76H4
More data for this
Ligand-Target Pair
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