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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50015390   
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))
BDBM50586159
PNG
(CHEMBL5087917)
Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCNc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(3.33,-2.78,;2.93,-1.29,;4.02,-.2,;5.51,-.6,;6.6,.49,;8.09,.09,;6.2,1.98,;4.71,2.37,;4.31,3.86,;3.62,1.29,;2.14,1.68,;1.05,.6,;1.72,-.78,;1.05,-2.15,;-.45,-2.51,;-1.65,-1.55,;-2.98,-2.32,;-2.98,-3.86,;-4.32,-1.56,;-4.32,-.01,;-5.65,.76,;-7.06,.13,;-7.45,-1.36,;-8.09,1.27,;-7.32,2.61,;-5.81,2.29,;-4.72,3.38,;-2.98,.75,;-2.98,2.29,;-1.65,-.01,;-.46,.94,;-.85,2.42,)|
PDB

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n/an/a 0.350n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586160
PNG
(CHEMBL5085993)
Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(3.33,-2.71,;2.93,-1.22,;4.02,-.13,;5.51,-.53,;6.6,.56,;8.09,.16,;6.2,2.05,;4.71,2.44,;4.31,3.93,;3.62,1.35,;2.14,1.75,;1.05,.66,;1.72,-.71,;1.05,-2.09,;-.45,-2.44,;-.85,-3.93,;-1.65,-1.48,;-2.98,-2.25,;-2.98,-3.79,;-4.32,-1.49,;-4.32,.05,;-5.65,.82,;-7.06,.2,;-7.45,-1.29,;-8.09,1.34,;-7.32,2.68,;-5.81,2.36,;-4.72,3.44,;-2.98,.82,;-2.98,2.36,;-1.65,.06,;-.46,1.01,;-.85,2.49,)|
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antibodypedia
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n/an/a 0.870n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586173
PNG
(CHEMBL5087318)
Show SMILES CSc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(3.33,-2.71,;2.93,-1.22,;4.02,-.13,;5.51,-.53,;6.6,.56,;8.09,.16,;6.2,2.05,;4.71,2.44,;4.31,3.93,;3.62,1.35,;2.14,1.75,;1.05,.66,;1.72,-.72,;1.05,-2.09,;-.45,-2.44,;-.85,-3.93,;-1.65,-1.48,;-2.98,-2.25,;-2.98,-3.79,;-4.32,-1.49,;-4.32,.05,;-5.65,.82,;-7.06,.2,;-7.45,-1.29,;-8.09,1.34,;-7.32,2.68,;-5.81,2.36,;-4.72,3.44,;-2.98,.82,;-2.98,2.36,;-1.65,.05,;-.46,1.01,;-.85,2.49,)|
PDB

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antibodypedia
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50193709
PNG
(CHEMBL3911017)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(59.06,-26.01,;58.74,-27.52,;59.77,-28.66,;59,-30,;57.5,-29.68,;56.35,-30.71,;57.33,-28.15,;55.99,-27.38,;54.66,-28.14,;53.34,-27.37,;52.01,-28.14,;53.35,-25.85,;52.02,-25.09,;52.02,-23.55,;53.35,-22.77,;53.35,-21.23,;52.02,-20.46,;52.02,-18.92,;53.36,-18.16,;50.7,-18.15,;49.36,-18.92,;48.03,-18.14,;49.35,-20.46,;50.69,-21.24,;50.69,-22.78,;54.68,-23.55,;56.01,-22.79,;54.68,-25.09,;55.99,-25.86,;57.33,-25.09,)|
Show InChI InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586158
PNG
(CHEMBL5088217)
Show SMILES CSc1cc(C)n(C)c(=O)c1CN1CCc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(2.55,-3.62,;2.55,-2.08,;3.88,-1.31,;5.22,-2.08,;6.55,-1.31,;7.88,-2.08,;6.55,.23,;7.88,1,;5.22,1,;5.22,2.54,;3.88,.23,;2.55,1,;1.22,.23,;1.22,-1.31,;-.12,-2.08,;-1.45,-1.31,;-2.78,-2.08,;-2.78,-3.62,;-4.11,-1.32,;-4.11,.23,;-5.45,1,;-6.85,.37,;-7.25,-1.11,;-7.88,1.52,;-7.11,2.85,;-5.61,2.53,;-4.52,3.62,;-2.78,1,;-2.78,2.54,;-1.45,.23,;-.12,1,;-.12,2.54,)|
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UniProtKB/SwissProt

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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586171
PNG
(CHEMBL5071153)
Show SMILES CCc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(3.33,-2.71,;2.93,-1.22,;4.02,-.13,;5.51,-.53,;6.6,.56,;8.09,.16,;6.2,2.04,;4.71,2.44,;4.31,3.93,;3.62,1.35,;2.14,1.75,;1.05,.66,;1.72,-.72,;1.05,-2.09,;-.45,-2.44,;-.85,-3.93,;-1.65,-1.48,;-2.98,-2.25,;-2.98,-3.79,;-4.32,-1.49,;-4.32,.05,;-5.65,.82,;-7.06,.2,;-7.45,-1.29,;-8.09,1.34,;-7.32,2.68,;-5.81,2.36,;-4.72,3.44,;-2.98,.82,;-2.98,2.36,;-1.65,.05,;-.46,1.01,;-.85,2.49,)|
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586167
PNG
(CHEMBL5074786)
Show SMILES CCN(C1CCOCC1)c1cc(Cl)c2N(C)CCN(Cc3c(OC)cc(C)[nH]c3=O)C(=O)c2c1Cl
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586165
PNG
(CHEMBL5093442)
Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(C(C)C3CCOCC3)c(Cl)c2C1=O
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586175
PNG
(CHEMBL5088474)
Show SMILES CSc1cc(C)n(C)c(=O)c1CN1CCNc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(3.33,-2.78,;2.93,-1.29,;4.02,-.2,;5.51,-.6,;6.6,.49,;8.09,.09,;6.2,1.98,;7.29,3.07,;4.71,2.37,;4.31,3.86,;3.62,1.29,;2.14,1.68,;1.05,.6,;1.72,-.78,;1.05,-2.15,;-.45,-2.51,;-1.65,-1.55,;-2.98,-2.32,;-2.98,-3.86,;-4.32,-1.56,;-4.32,-.01,;-5.65,.76,;-7.06,.13,;-7.45,-1.36,;-8.09,1.27,;-7.32,2.61,;-5.81,2.29,;-4.72,3.38,;-2.98,.75,;-2.98,2.3,;-1.65,-.01,;-.46,.94,;-.85,2.42,)|
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586162
PNG
(CHEMBL5079717)
Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2ccc(-c3c(C)noc3C)c(Cl)c2C1=O |(3.33,-2.71,;2.93,-1.22,;4.02,-.13,;5.51,-.53,;6.6,.56,;8.09,.16,;6.2,2.05,;4.71,2.44,;4.31,3.93,;3.62,1.35,;2.14,1.75,;1.05,.66,;1.72,-.71,;1.05,-2.08,;-.45,-2.44,;-.85,-3.93,;-1.65,-1.48,;-2.98,-2.25,;-4.32,-1.49,;-4.32,.05,;-5.65,.82,;-7.06,.2,;-7.45,-1.29,;-8.09,1.34,;-7.32,2.68,;-5.81,2.36,;-4.72,3.44,;-2.98,.82,;-2.98,2.36,;-1.65,.06,;-.46,1.01,;-.85,2.49,)|
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586166
PNG
(CHEMBL5091527)
Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(C(O)C3CCOCC3)c(Cl)c2C1=O
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n/an/a 9.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586174
PNG
(CHEMBL5081019)
Show SMILES CSc1cc(C)n(C)c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(3.33,-2.71,;2.93,-1.22,;4.02,-.13,;5.51,-.53,;6.6,.56,;8.09,.16,;6.2,2.05,;7.29,3.13,;4.71,2.44,;4.31,3.93,;3.62,1.35,;2.14,1.75,;1.05,.66,;1.72,-.72,;1.05,-2.09,;-.45,-2.44,;-.85,-3.93,;-1.65,-1.48,;-2.98,-2.25,;-2.98,-3.79,;-4.32,-1.49,;-4.32,.05,;-5.65,.82,;-7.06,.2,;-7.45,-1.29,;-8.09,1.34,;-7.32,2.68,;-5.81,2.36,;-4.72,3.44,;-2.98,.82,;-2.98,2.36,;-1.65,.05,;-.46,1.01,;-.85,2.49,)|
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586157
PNG
(CHEMBL5082529)
Show SMILES COc1cc(C)n(C)c(=O)c1CN1CCc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(2.55,-3.62,;2.55,-2.08,;3.88,-1.31,;5.22,-2.08,;6.55,-1.31,;7.88,-2.08,;6.55,.23,;7.88,1,;5.22,1,;5.22,2.54,;3.88,.23,;2.55,1,;1.22,.23,;1.22,-1.31,;-.12,-2.08,;-1.45,-1.31,;-2.78,-2.08,;-2.78,-3.62,;-4.11,-1.32,;-4.11,.23,;-5.45,1,;-6.85,.37,;-7.25,-1.11,;-7.88,1.52,;-7.11,2.85,;-5.61,2.53,;-4.52,3.62,;-2.78,1,;-2.78,2.54,;-1.45,.23,;-.12,1,;-.12,2.54,)|
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586153
PNG
(CHEMBL5078476)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)n(C)c3=O)C(=O)c2c1Cl |(-7.25,-1.11,;-6.85,.37,;-7.88,1.52,;-7.11,2.85,;-5.61,2.53,;-4.52,3.62,;-5.45,1,;-4.11,.23,;-4.11,-1.32,;-2.78,-2.08,;-2.78,-3.62,;-1.45,-1.31,;-.12,-2.08,;1.22,-1.31,;1.22,.23,;2.55,1,;3.88,.23,;3.88,-1.31,;2.55,-2.08,;5.22,-2.08,;6.55,-1.31,;7.88,-2.08,;6.55,.23,;7.88,1,;5.22,1,;5.22,2.54,;-.12,1,;-.12,2.54,;-1.45,.23,;-2.78,1,;-2.78,2.54,)|
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50193709
PNG
(CHEMBL3911017)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(59.06,-26.01,;58.74,-27.52,;59.77,-28.66,;59,-30,;57.5,-29.68,;56.35,-30.71,;57.33,-28.15,;55.99,-27.38,;54.66,-28.14,;53.34,-27.37,;52.01,-28.14,;53.35,-25.85,;52.02,-25.09,;52.02,-23.55,;53.35,-22.77,;53.35,-21.23,;52.02,-20.46,;52.02,-18.92,;53.36,-18.16,;50.7,-18.15,;49.36,-18.92,;48.03,-18.14,;49.35,-20.46,;50.69,-21.24,;50.69,-22.78,;54.68,-23.55,;56.01,-22.79,;54.68,-25.09,;55.99,-25.86,;57.33,-25.09,)|
Show InChI InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 in HEK293T cells assessed as H3K27me3 levels incubated for 48 hrs by flow cytometry


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586159
PNG
(CHEMBL5087917)
Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCNc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(3.33,-2.78,;2.93,-1.29,;4.02,-.2,;5.51,-.6,;6.6,.49,;8.09,.09,;6.2,1.98,;4.71,2.37,;4.31,3.86,;3.62,1.29,;2.14,1.68,;1.05,.6,;1.72,-.78,;1.05,-2.15,;-.45,-2.51,;-1.65,-1.55,;-2.98,-2.32,;-2.98,-3.86,;-4.32,-1.56,;-4.32,-.01,;-5.65,.76,;-7.06,.13,;-7.45,-1.36,;-8.09,1.27,;-7.32,2.61,;-5.81,2.29,;-4.72,3.38,;-2.98,.75,;-2.98,2.29,;-1.65,-.01,;-.46,.94,;-.85,2.42,)|
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 in HEK293T cells assessed as H3K27me3 levels incubated for 48 hrs by flow cytometry


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586164
PNG
(CHEMBL5072578)
Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(OC(C)C)c(Cl)c2C1=O
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586161
PNG
(CHEMBL5085040)
Show SMILES CCN1CCN(Cc2c(OC)cc(C)[nH]c2=O)C(=O)c2c(Cl)c(cc(Cl)c12)-c1c(C)noc1C |(.24,-4.48,;-.85,-3.39,;-.45,-1.9,;1.05,-1.54,;1.72,-.17,;1.05,1.21,;2.14,2.3,;3.62,1.9,;4.02,.41,;2.93,-.68,;3.33,-2.17,;5.51,.01,;6.6,1.1,;8.09,.7,;6.2,2.59,;4.71,2.99,;4.31,4.48,;-.46,1.55,;-.85,3.04,;-1.65,.6,;-2.98,1.37,;-2.98,2.91,;-4.32,.6,;-4.32,-.95,;-2.98,-1.71,;-2.98,-3.25,;-1.65,-.94,;-5.65,1.37,;-7.06,.74,;-7.45,-.74,;-8.09,1.89,;-7.32,3.22,;-5.81,2.9,;-4.72,3.99,)|
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TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586168
PNG
(CHEMBL5092735)
Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(c(Cl)c2C1=O)-c1ccc(cc1)N1CCOCC1
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TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586169
PNG
(CHEMBL5069417)
Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(c(Cl)c2C1=O)-c1ccc(Cl)cc1F
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TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586154
PNG
(CHEMBL5092557)
Show SMILES CCc1cc(C)n(C)c(=O)c1CN1CCc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(2.55,-3.62,;2.55,-2.08,;3.88,-1.31,;5.22,-2.08,;6.55,-1.31,;7.88,-2.08,;6.55,.23,;7.88,1,;5.22,1,;5.22,2.54,;3.88,.23,;2.55,1,;1.22,.23,;1.22,-1.31,;-.12,-2.08,;-1.45,-1.31,;-2.78,-2.08,;-2.78,-3.62,;-4.11,-1.32,;-4.11,.23,;-5.45,1,;-6.85,.37,;-7.25,-1.11,;-7.88,1.52,;-7.11,2.85,;-5.61,2.53,;-4.52,3.62,;-2.78,1,;-2.78,2.54,;-1.45,.23,;-.12,1,;-.12,2.54,)|
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TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586160
PNG
(CHEMBL5085993)
Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(3.33,-2.71,;2.93,-1.22,;4.02,-.13,;5.51,-.53,;6.6,.56,;8.09,.16,;6.2,2.05,;4.71,2.44,;4.31,3.93,;3.62,1.35,;2.14,1.75,;1.05,.66,;1.72,-.71,;1.05,-2.09,;-.45,-2.44,;-.85,-3.93,;-1.65,-1.48,;-2.98,-2.25,;-2.98,-3.79,;-4.32,-1.49,;-4.32,.05,;-5.65,.82,;-7.06,.2,;-7.45,-1.29,;-8.09,1.34,;-7.32,2.68,;-5.81,2.36,;-4.72,3.44,;-2.98,.82,;-2.98,2.36,;-1.65,.06,;-.46,1.01,;-.85,2.49,)|
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TBA

Assay Description
Inhibition of EZH2 in HEK293T cells assessed as H3K27me3 levels incubated for 48 hrs by flow cytometry


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586170
PNG
(CHEMBL5079867)
Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(c(Cl)c2C1=O)-c1ccc(CN2CCOCC2)cc1
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TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586155
PNG
(CHEMBL5081796)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(cc(C)n(C)c3=O)C3CC3)C(=O)c2c1Cl |(-7.25,-1.11,;-6.85,.37,;-7.88,1.52,;-7.11,2.85,;-5.61,2.53,;-4.52,3.62,;-5.45,1,;-4.11,.23,;-4.11,-1.32,;-2.78,-2.08,;-2.78,-3.62,;-1.45,-1.31,;-.12,-2.08,;1.22,-1.31,;1.22,.23,;2.55,1,;3.88,.23,;3.88,-1.31,;5.22,-2.08,;6.55,-1.31,;7.88,-2.08,;6.55,.23,;7.88,1,;5.22,1,;5.22,2.54,;2.55,-2.08,;1.01,-2.08,;1.78,-3.41,;-.12,1,;-.12,2.54,;-1.45,.23,;-2.78,1,;-2.78,2.54,)|
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n/an/a 302n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586163
PNG
(CHEMBL5094306)
Show SMILES CCN1CCN(Cc2c(OC)cc(C)[nH]c2=O)C(=O)c2c(Cl)c(ccc12)-c1c(C)noc1C |(.24,-4.48,;-.85,-3.39,;-.45,-1.9,;1.05,-1.54,;1.72,-.17,;1.05,1.21,;2.14,2.3,;3.62,1.9,;4.02,.41,;2.93,-.68,;3.33,-2.17,;5.51,.01,;6.6,1.1,;8.09,.7,;6.2,2.59,;4.71,2.99,;4.31,4.48,;-.46,1.55,;-.85,3.04,;-1.65,.6,;-2.98,1.37,;-2.98,2.91,;-4.32,.6,;-4.32,-.95,;-2.98,-1.71,;-1.65,-.94,;-5.65,1.37,;-7.06,.74,;-7.45,-.74,;-8.09,1.89,;-7.32,3.22,;-5.81,2.9,;-4.72,3.99,)|
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TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586172
PNG
(CHEMBL5074685)
Show SMILES COc1cc(C)n(C)c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(3.33,-2.71,;2.93,-1.22,;4.02,-.13,;5.51,-.53,;6.6,.56,;8.09,.16,;6.2,2.05,;7.29,3.13,;4.71,2.44,;4.31,3.93,;3.62,1.35,;2.14,1.75,;1.05,.66,;1.72,-.72,;1.05,-2.09,;-.45,-2.44,;-.85,-3.93,;-1.65,-1.48,;-2.98,-2.25,;-2.98,-3.79,;-4.32,-1.49,;-4.32,.05,;-5.65,.82,;-7.06,.2,;-7.45,-1.29,;-8.09,1.34,;-7.32,2.68,;-5.81,2.36,;-4.72,3.44,;-2.98,.82,;-2.98,2.36,;-1.65,.05,;-.46,1.01,;-.85,2.49,)|
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n/an/a 541n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586153
PNG
(CHEMBL5078476)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)n(C)c3=O)C(=O)c2c1Cl |(-7.25,-1.11,;-6.85,.37,;-7.88,1.52,;-7.11,2.85,;-5.61,2.53,;-4.52,3.62,;-5.45,1,;-4.11,.23,;-4.11,-1.32,;-2.78,-2.08,;-2.78,-3.62,;-1.45,-1.31,;-.12,-2.08,;1.22,-1.31,;1.22,.23,;2.55,1,;3.88,.23,;3.88,-1.31,;2.55,-2.08,;5.22,-2.08,;6.55,-1.31,;7.88,-2.08,;6.55,.23,;7.88,1,;5.22,1,;5.22,2.54,;-.12,1,;-.12,2.54,;-1.45,.23,;-2.78,1,;-2.78,2.54,)|
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n/an/a 580n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 in HEK293T cells assessed as H3K27me3 levels incubated for 48 hrs by flow cytometry


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50586156
PNG
(CHEMBL5093457)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(cc(C)n(C)c3=O)C(F)(F)F)C(=O)c2c1Cl |(-7.25,-1.11,;-6.85,.37,;-7.88,1.52,;-7.11,2.85,;-5.61,2.53,;-4.52,3.62,;-5.45,1,;-4.11,.23,;-4.11,-1.32,;-2.78,-2.08,;-2.78,-3.62,;-1.45,-1.31,;-.12,-2.08,;1.22,-1.31,;1.22,.23,;2.55,1,;3.88,.23,;3.88,-1.31,;5.22,-2.08,;6.55,-1.31,;7.88,-2.08,;6.55,.23,;7.88,1,;5.22,1,;5.22,2.54,;2.55,-2.08,;2.55,-3.62,;1.78,-.74,;1.01,-2.08,;-.12,1,;-.12,2.54,;-1.45,.23,;-2.78,1,;-2.78,2.54,)|
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EZH2 (unknown origin) using 3H-SAM as substrate incubated for 1 hour by filter binding method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00448
BindingDB Entry DOI: 10.7270/Q2J10735
More data for this
Ligand-Target Pair