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Compile Data Set for Download or QSAR

Found 18 hits of kd for UniProtKB: Q15910   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50193657
PNG
(CHEMBL3955994)
Show SMILES CC(C)Oc1ccc2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C
Show InChI InChI=1S/C21H26N2O3/c1-12(2)26-18-7-6-16-8-9-23(21(25)19(16)15(18)5)11-17-13(3)10-14(4)22-20(17)24/h6-7,10,12H,8-9,11H2,1-5H3,(H,22,24)
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n/an/an/a 37n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex by ITC analysis


J Med Chem 59: 8306-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00515
BindingDB Entry DOI: 10.7270/Q2J1053B
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50574994
PNG
(CHEMBL4847620)
Show SMILES CC[C@H](C)n1nc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O |r|
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n/an/an/a 21n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as kd/ka using H3K27me0 peptide substrate incubated for 3 hrs by HMT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50546194
PNG
(CHEMBL4755961)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]C34[#6]5-[#6]-[#6](-[#6]=[#6]3-[#6](=O)-c2c1-[#8])-[#6](=O)C4([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)[#8]C5([#6])[#6] |c:25,TLB:33:32:26.25:22.23,THB:43:22:26.25:32.34,35:34:26.25:22.23,27:26:32.34:22.23|
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n/an/an/a 182n/an/an/an/an/a


TBA

Assay Description
Binding affinity to EZH2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00093
BindingDB Entry DOI: 10.7270/Q2MC93N5
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50546195
PNG
(CHEMBL4777537)
Show SMILES [#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6](\[#6])=[#6]\[#6]C12[#8]C([#6])([#6])[#6]3-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c5c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8]C134)-[#6]2=O |t:20,TLB:50:49:21.20:17.18,THB:14:17:21.20:49.12,11:12:21.20:17.18,22:21:49.12:17.18|
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n/an/an/a 116n/an/an/an/an/a


TBA

Assay Description
Binding affinity to EZH2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00093
BindingDB Entry DOI: 10.7270/Q2MC93N5
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50574989
PNG
(CHEMBL4856941)
Show SMILES CCN(C(=O)CC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB

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n/an/an/a 0.0203n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as dissociation rate constant using H3K27me0 peptide substrate incubated for 3 hrs b...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50574990
PNG
(CHEMBL4849327)
Show SMILES CCN(C(=O)C(C)=C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB

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n/an/an/a 0.0430n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as dissociation rate constant using H3K27me0 peptide substrate incubated for 3 hrs b...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50574991
PNG
(CHEMBL4854774)
Show SMILES CC(=O)Nc1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB

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n/an/an/a 0.0159n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as dissociation rate constant using H3K27me0 peptide substrate incubated for 3 hrs b...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50574992
PNG
(CHEMBL4850135)
Show SMILES CCC(=O)Nc1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB

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n/an/an/a 0.0916n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as dissociation rate constant using H3K27me0 peptide substrate incubated for 3 hrs b...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50574993
PNG
(CHEMBL4869660)
Show SMILES CC(C)CC(=O)Nc1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB

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n/an/an/a 0.112n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as dissociation rate constant using H3K27me0 peptide substrate incubated for 3 hrs b...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172038
PNG
(US10155002, Compound 44 | US10647700, Compound EPZ...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)
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n/an/an/a 0.0935n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as dissociation rate constant using H3K27me0 peptide substrate incubated for 3 hrs b...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50574994
PNG
(CHEMBL4847620)
Show SMILES CC[C@H](C)n1nc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O |r|
PDB

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n/an/an/a 0.0693n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as dissociation rate constant using H3K27me0 peptide substrate incubated for 3 hrs b...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50574989
PNG
(CHEMBL4856941)
Show SMILES CCN(C(=O)CC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB

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n/an/an/a 32n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as kd/ka using H3K27me0 peptide substrate incubated for 3 hrs by HMT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50574990
PNG
(CHEMBL4849327)
Show SMILES CCN(C(=O)C(C)=C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB

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n/an/an/a 39n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as kd/ka using H3K27me0 peptide substrate incubated for 3 hrs by HMT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50574991
PNG
(CHEMBL4854774)
Show SMILES CC(=O)Nc1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB

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n/an/an/a 15n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as kd/ka using H3K27me0 peptide substrate incubated for 3 hrs by HMT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50574992
PNG
(CHEMBL4850135)
Show SMILES CCC(=O)Nc1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB

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UniProtKB/SwissProt

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n/an/an/a 18n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as kd/ka using H3K27me0 peptide substrate incubated for 3 hrs by HMT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50574993
PNG
(CHEMBL4869660)
Show SMILES CC(C)CC(=O)Nc1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB

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antibodypedia
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n/an/an/a 25n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as kd/ka using H3K27me0 peptide substrate incubated for 3 hrs by HMT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172038
PNG
(US10155002, Compound 44 | US10647700, Compound EPZ...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)
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n/an/an/a 12n/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant PRC2 complex (unknown origin) assessed as kd/ka using H3K27me0 peptide substrate incubated for 3 hrs by HMT assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00567
BindingDB Entry DOI: 10.7270/Q2G44V3J
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50193717
PNG
(CHEMBL3932025)
Show SMILES CC(C)Oc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C19H24N2O3/c1-11(2)24-17-8-6-7-15(14(17)5)18(22)20-10-16-12(3)9-13(4)21-19(16)23/h6-9,11H,10H2,1-5H3,(H,20,22)(H,21,23)
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n/an/an/a 252n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex by ITC analysis


J Med Chem 59: 8306-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00515
BindingDB Entry DOI: 10.7270/Q2J1053B
More data for this
Ligand-Target Pair