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Compile Data Set for Download or QSAR

Found 25 hits of ec50 data for polymerid = 6661,7981   
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
ezh2


(Homo sapiens (Human))
BDBM335720
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((1-et...)
PDB

KEGG

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n/an/an/an/a<50n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335722
PNG
(N-((1,7-Dimethyl-3-oxo-2,3- dihydroisoquinolin-4-y...)
PDB

KEGG

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n/an/an/an/a<50n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335706
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((7-fl...)
PDB

KEGG

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n/an/an/an/a<50n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335705
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-4-methyl...)
PDB

KEGG

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n/an/an/an/a<50n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335711
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((5-fl...)
PDB

KEGG

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n/an/an/an/a<50n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

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


(Homo sapiens (Human))
BDBM172038
PNG
(US10155002, Compound 44 | US9090562, 143 | US90905...)
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)
PDB

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n/an/an/an/a 200n/an/an/an/a



Epizyme

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 in human G401 cells assessed as H3K27 trimethylation after 4 hrs by ELISA


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


(Homo sapiens (Human))
BDBM50149889
PNG
(CHEMBL3769571)
Show SMILES CCN(C1CCOCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C23H30ClN3O3/c1-5-27(18-6-8-30-9-7-18)21-12-17(24)11-19(16(21)4)22(28)25-13-20-14(2)10-15(3)26-23(20)29/h10-12,18H,5-9,13H2,1-4H3,(H,25,28)(H,26,29)
PDB

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n/an/an/an/a 300n/an/an/an/a



Epizyme

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 in human G401 cells assessed as H3K27 trimethylation after 4 hrs by ELISA


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


(Homo sapiens (Human))
BDBM50149884
PNG
(CHEMBL3770973)
Show SMILES CN(C1CCOCC1)c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C22H28BrN3O3/c1-13-9-14(2)25-22(28)19(13)12-24-21(27)18-10-16(23)11-20(15(18)3)26(4)17-5-7-29-8-6-17/h9-11,17H,5-8,12H2,1-4H3,(H,24,27)(H,25,28)
PDB

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n/an/an/an/a 300n/an/an/an/a



Epizyme

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 in human G401 cells assessed as H3K27 trimethylation after 4 hrs by ELISA


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


(Homo sapiens (Human))
BDBM50149882
PNG
(CHEMBL3771083)
Show SMILES CN(C1CCCC1)c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C22H28BrN3O2/c1-13-9-14(2)25-22(28)19(13)12-24-21(27)18-10-16(23)11-20(15(18)3)26(4)17-7-5-6-8-17/h9-11,17H,5-8,12H2,1-4H3,(H,24,27)(H,25,28)
PDB

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n/an/an/an/a 500n/an/an/an/a



Epizyme

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 in human G401 cells assessed as H3K27 trimethylation after 4 hrs by ELISA


Citation and Details
More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335715
PNG
(1-(sec-Butyl)-3-methyl-N-((1- methyl-3-oxo-2,3- di...)
PDB

KEGG

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n/an/an/an/a<500n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335713
PNG
(4'-((1,1-Dioxidothiomorpholino) methyl)-5-(ethyl(t...)
PDB

KEGG

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n/an/an/an/a<500n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335719
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((1-et...)
PDB

KEGG

UniProtKB/SwissProt

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n/an/an/an/a<500n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335706
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((7-fl...)
PDB

KEGG

UniProtKB/SwissProt

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n/an/an/an/a<500n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335712
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-4-methyl...)
PDB

KEGG

UniProtKB/SwissProt

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n/an/an/an/a<500n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

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


(Homo sapiens (Human))
BDBM171998
PNG
(US10155002, Compound 2 | US9090562, 2)
Show SMILES CN(C1CCCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C33H42N4O3/c1-22-17-23(2)35-33(39)30(22)20-34-32(38)29-18-27(19-31(24(29)3)36(4)28-7-5-6-8-28)26-11-9-25(10-12-26)21-37-13-15-40-16-14-37/h9-12,17-19,28H,5-8,13-16,20-21H2,1-4H3,(H,34,38)(H,35,39)
PDB

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n/an/an/an/a 700n/an/an/an/a



Epizyme

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 in human G401 cells assessed as H3K27 trimethylation after 4 hrs by ELISA


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


(Homo sapiens (Human))
BDBM50075051
PNG
(CHEMBL3360855 | EPZ005687 | US9175331, 7 | US96374...)
Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)-c2ccc(CN3CCOCC3)cc2)c(=O)[nH]1
Show InChI InChI=1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)
PDB

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n/an/an/an/a 2.90E+3n/an/an/an/a



Epizyme

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 in human G401 cells assessed as H3K27 trimethylation after 4 hrs by ELISA


Citation and Details
More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335717
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((8-fl...)
PDB

KEGG

UniProtKB/SwissProt

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n/an/an/an/a<5.00E+3n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335716
PNG
(N-((6,8-Difluoro-1-methyl-3-oxo- 2,3-dihydroisoqui...)
PDB

KEGG

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n/an/an/an/a<5.00E+3n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335714
PNG
(US9738630, Example 9 | tert-Butyl 4-(5-(1-(sec-but...)
PDB

KEGG

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n/an/an/an/a<5.00E+3n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335723
PNG
(2,2-Dimethyl-N-((1-methyl-3- oxo-2,3-dihydroisoqui...)
PDB

KEGG

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n/an/an/an/a<5.00E+3n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335708
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((6-me...)
PDB

KEGG

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n/an/an/an/a<5.00E+3n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335707
PNG
(N-((6,7-Dimethoxy-1-methyl-3- oxo-2,3-dihydroisoqu...)
PDB

KEGG

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n/an/an/an/a<5.00E+3n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

More data for this
Ligand-Target Pair
ezh2


(Homo sapiens (Human))
BDBM335709
PNG
(5-(Ethyl(tetrahydro-2H-pyran-4- yl)amino)-N-((5-fl...)
PDB

KEGG

UniProtKB/SwissProt

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n/an/an/an/a<5.00E+3n/an/an/an/a



Globe Pharmaceutical R and Abbott Laboratories





J Med Chem 47: 612-26 (2004)

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


(Homo sapiens (Human))
BDBM50010823
PNG
(CHEMBL3264787)
Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)c1ccc(Oc2cccc(-c3ccnnc3)c2C#N)c(Cl)c1
Show InChI InChI=1S/C27H28ClN5O2/c1-26(2)13-19(14-27(3,4)33-26)32-25(34)17-8-9-24(22(28)12-17)35-23-7-5-6-20(21(23)15-29)18-10-11-30-31-16-18/h5-12,16,19,33H,13-14H2,1-4H3,(H,32,34)
PDB

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n/an/an/an/a 7.00E+3n/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of EZH2 in human HeLa cells assessed as reduction of H3K27me3 and H3K27me2 level after 96 hrs by ELISA method


J Med Chem 58: 1596-629 (2015)

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


(Homo sapiens (Human))
BDBM190179
PNG
(EPZ005030 | US9175331, 4 | US9637472, Compound A-2)
Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc(CN2CCOCC2)cc1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C29H34N6O3/c1-18(2)35-27-25(16-31-35)23(28(36)30-15-24-19(3)13-20(4)32-29(24)37)14-26(33-27)22-7-5-21(6-8-22)17-34-9-11-38-12-10-34/h5-8,13-14,16,18H,9-12,15,17H2,1-4H3,(H,30,36)(H,32,37)
PDB

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n/an/an/an/a 1.05E+4n/an/an/an/a



Epizyme

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of EZH2 in human G401 cells assessed as H3K27 trimethylation after 4 hrs by ELISA


Citation and Details
More data for this
Ligand-Target Pair