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Compile Data Set for Download or QSAR

Found 66 hits from Constellation Pharmaceuticals, Inc.   
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))
BDBM50017293
PNG
(CHEMBL3287735)
Show SMILES CC[C@H](C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172038
PNG
(US9090562, 143 | US9090562, 44 | US9394283, 1)
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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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110359
PNG
(CHEMBL3605453)
Show SMILES C[C@H](C1CCOCC1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C25H31N3O3/c1-15-13-16(2)27-24(29)21(15)14-26-25(30)23-18(4)28(22-8-6-5-7-20(22)23)17(3)19-9-11-31-12-10-19/h5-8,13,17,19H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t17-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172038
PNG
(US9090562, 143 | US9090562, 44 | US9394283, 1)
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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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110357
PNG
(CHEMBL3605455)
Show SMILES CCS(=O)(=O)N1CCC(CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C27H36N4O4S/c1-6-36(34,35)30-13-11-21(12-14-30)19(4)31-20(5)25(22-9-7-8-10-24(22)31)27(33)28-16-23-17(2)15-18(3)29-26(23)32/h7-10,15,19,21H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)/t19-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50017293
PNG
(CHEMBL3287735)
Show SMILES CC[C@H](C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110358
PNG
(CHEMBL3605454)
Show SMILES C[C@H](C1CCN(C)CC1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C26H34N4O2/c1-16-14-17(2)28-25(31)22(16)15-27-26(32)24-19(4)30(23-9-7-6-8-21(23)24)18(3)20-10-12-29(5)13-11-20/h6-9,14,18,20H,10-13,15H2,1-5H3,(H,27,32)(H,28,31)/t18-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110356
PNG
(CHEMBL3605456)
Show SMILES COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H31N3O4/c1-15-13-22(31-4)20(24(29)27-15)14-26-25(30)23-17(3)28(21-8-6-5-7-19(21)23)16(2)18-9-11-32-12-10-18/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t16-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110355
PNG
(CHEMBL3605457)
Show SMILES CCS(=O)(=O)N1CCC(CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C27H36N4O5S/c1-6-37(34,35)30-13-11-20(12-14-30)18(3)31-19(4)25(21-9-7-8-10-23(21)31)27(33)28-16-22-24(36-5)15-17(2)29-26(22)32/h7-10,15,18,20H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)/t18-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110357
PNG
(CHEMBL3605455)
Show SMILES CCS(=O)(=O)N1CCC(CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C27H36N4O4S/c1-6-36(34,35)30-13-11-21(12-14-30)19(4)31-20(5)25(22-9-7-8-10-24(22)31)27(33)28-16-23-17(2)15-18(3)29-26(23)32/h7-10,15,19,21H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)/t19-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110355
PNG
(CHEMBL3605457)
Show SMILES CCS(=O)(=O)N1CCC(CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C27H36N4O5S/c1-6-37(34,35)30-13-11-20(12-14-30)18(3)31-19(4)25(21-9-7-8-10-23(21)31)27(33)28-16-22-24(36-5)15-17(2)29-26(22)32/h7-10,15,18,20H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)/t18-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110356
PNG
(CHEMBL3605456)
Show SMILES COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H31N3O4/c1-15-13-22(31-4)20(24(29)27-15)14-26-25(30)23-17(3)28(21-8-6-5-7-19(21)23)16(2)18-9-11-32-12-10-18/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t16-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110359
PNG
(CHEMBL3605453)
Show SMILES C[C@H](C1CCOCC1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C25H31N3O3/c1-15-13-16(2)27-24(29)21(15)14-26-25(30)23-18(4)28(22-8-6-5-7-20(22)23)17(3)19-9-11-31-12-10-19/h5-8,13,17,19H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t17-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110354
PNG
(CHEMBL3605458)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)S(=O)(=O)CC)c2ccccc12
Show InChI InChI=1S/C29H40N4O4S/c1-6-10-23-17-19(3)31-28(34)25(23)18-30-29(35)27-21(5)33(26-12-9-8-11-24(26)27)20(4)22-13-15-32(16-14-22)38(36,37)7-2/h8-9,11-12,17,20,22H,6-7,10,13-16,18H2,1-5H3,(H,30,35)(H,31,34)/t20-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110360
PNG
(CHEMBL3605452)
Show SMILES COC[C@@H](C)n1c(C)c(C(=O)NCc2c(C)cc(C)nc2O)c2ccccc12
Show InChI InChI=1S/C22H27N3O3/c1-13-10-14(2)24-21(26)18(13)11-23-22(27)20-16(4)25(15(3)12-28-5)19-9-7-6-8-17(19)20/h6-10,15H,11-12H2,1-5H3,(H,23,27)(H,24,26)/t15-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110358
PNG
(CHEMBL3605454)
Show SMILES C[C@H](C1CCN(C)CC1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C26H34N4O2/c1-16-14-17(2)28-25(31)22(16)15-27-26(32)24-19(4)30(23-9-7-6-8-21(23)24)18(3)20-10-12-29(5)13-11-20/h6-9,14,18,20H,10-13,15H2,1-5H3,(H,27,32)(H,28,31)/t18-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110350
PNG
(CHEMBL3605446)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C26H27N3O2/c1-16-14-17(2)28-25(30)22(16)15-27-26(31)24-19(4)29(23-13-9-8-12-21(23)24)18(3)20-10-6-5-7-11-20/h5-14,18H,15H2,1-4H3,(H,27,31)(H,28,30)/t18-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110367
PNG
(CHEMBL3605445)
Show SMILES CC(c1ccccc1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C26H27N3O2/c1-16-14-17(2)28-25(30)22(16)15-27-26(31)24-19(4)29(23-13-9-8-12-21(23)24)18(3)20-10-6-5-7-11-20/h5-14,18H,15H2,1-4H3,(H,27,31)(H,28,30)
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n/an/a 13n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo Domain 1


(Homo sapiens (Human))
BDBM254914
PNG
(US9493483, 402)
Show SMILES CN(C)C(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(ccc2-c2c(C)noc12)-c1cnn(C)c1
Show InChI InChI=1S/C26H24ClN5O2/c1-15-24-20-10-7-17(18-13-28-32(4)14-18)11-21(20)25(16-5-8-19(27)9-6-16)29-22(26(24)34-30-15)12-23(33)31(2)3/h5-11,13-14,22H,12H2,1-4H3/t22-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


US Patent US9493483 (2016)


BindingDB Entry DOI: 10.7270/Q26D5RXQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo Domain 1


(Homo sapiens (Human))
BDBM50158612
PNG
(CHEMBL3787075 | US9493483, 401)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1
Show InChI InChI=1S/C24H20ClN5O2/c1-13-22-18-8-5-15(16-11-27-30(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)28-20(10-21(26)31)24(22)32-29-13/h3-9,11-12,20H,10H2,1-2H3,(H2,26,31)/t20-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


US Patent US9493483 (2016)


BindingDB Entry DOI: 10.7270/Q26D5RXQ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110362
PNG
(CHEMBL3605451)
Show SMILES CCC(C)n1c(C)c(C(=O)NCc2c(C)cc(C)nc2O)c2ccccc12
Show InChI InChI=1S/C22H27N3O2/c1-6-15(4)25-16(5)20(17-9-7-8-10-19(17)25)22(27)23-12-18-13(2)11-14(3)24-21(18)26/h7-11,15H,6,12H2,1-5H3,(H,23,27)(H,24,26)
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo Domain 1


(Homo sapiens (Human))
BDBM50158612
PNG
(CHEMBL3787075 | US9493483, 401)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1
Show InChI InChI=1S/C24H20ClN5O2/c1-13-22-18-8-5-15(16-11-27-30(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)28-20(10-21(26)31)24(22)32-29-13/h3-9,11-12,20H,10H2,1-2H3,(H2,26,31)/t20-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


US Patent US9493483 (2016)


BindingDB Entry DOI: 10.7270/Q26D5RXQ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172038
PNG
(US9090562, 143 | US9090562, 44 | US9394283, 1)
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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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 in human HeLa cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by ELISA method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110366
PNG
(CHEMBL3605447)
Show SMILES C[C@@H](c1ccccc1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C26H27N3O2/c1-16-14-17(2)28-25(30)22(16)15-27-26(31)24-19(4)29(23-13-9-8-12-21(23)24)18(3)20-10-6-5-7-11-20/h5-14,18H,15H2,1-4H3,(H,27,31)(H,28,30)/t18-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo Domain 1


(Homo sapiens (Human))
BDBM254915
PNG
(US9493483, 403)
Show SMILES Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1
Show InChI InChI=1S/C26H21ClN4O2/c1-14-3-4-18(13-29-14)17-7-10-20-21(11-17)25(16-5-8-19(27)9-6-16)30-22(12-23(28)32)26-24(20)15(2)31-33-26/h3-11,13,22H,12H2,1-2H3,(H2,28,32)/t22-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


US Patent US9493483 (2016)


BindingDB Entry DOI: 10.7270/Q26D5RXQ
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)
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110350
PNG
(CHEMBL3605446)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C26H27N3O2/c1-16-14-17(2)28-25(30)22(16)15-27-26(31)24-19(4)29(23-13-9-8-12-21(23)24)18(3)20-10-6-5-7-11-20/h5-14,18H,15H2,1-4H3,(H,27,31)(H,28,30)/t18-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110354
PNG
(CHEMBL3605458)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)S(=O)(=O)CC)c2ccccc12
Show InChI InChI=1S/C29H40N4O4S/c1-6-10-23-17-19(3)31-28(34)25(23)18-30-29(35)27-21(5)33(26-12-9-8-11-24(26)27)20(4)22-13-15-32(16-14-22)38(36,37)7-2/h8-9,11-12,17,20,22H,6-7,10,13-16,18H2,1-5H3,(H,30,35)(H,31,34)/t20-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110352
PNG
(CHEMBL3605459)
Show SMILES CCS(=O)(=O)N1CCC(CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(OCC(F)(F)F)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C28H35F3N4O5S/c1-5-41(38,39)34-12-10-20(11-13-34)18(3)35-19(4)25(21-8-6-7-9-23(21)35)27(37)32-15-22-24(40-16-28(29,30)31)14-17(2)33-26(22)36/h6-9,14,18,20H,5,10-13,15-16H2,1-4H3,(H,32,37)(H,33,36)/t18-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110360
PNG
(CHEMBL3605452)
Show SMILES COC[C@@H](C)n1c(C)c(C(=O)NCc2c(C)cc(C)nc2O)c2ccccc12
Show InChI InChI=1S/C22H27N3O3/c1-13-10-14(2)24-21(26)18(13)11-23-22(27)20-16(4)25(15(3)12-28-5)19-9-7-6-8-17(19)20/h6-10,15H,11-12H2,1-5H3,(H,23,27)(H,24,26)/t15-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110357
PNG
(CHEMBL3605455)
Show SMILES CCS(=O)(=O)N1CCC(CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C27H36N4O4S/c1-6-36(34,35)30-13-11-21(12-14-30)19(4)31-20(5)25(22-9-7-8-10-24(22)31)27(33)28-16-23-17(2)15-18(3)29-26(23)32/h7-10,15,19,21H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)/t19-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 in human HeLa cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by ELISA method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110367
PNG
(CHEMBL3605445)
Show SMILES CC(c1ccccc1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C26H27N3O2/c1-16-14-17(2)28-25(30)22(16)15-27-26(31)24-19(4)29(23-13-9-8-12-21(23)24)18(3)20-10-6-5-7-11-20/h5-14,18H,15H2,1-4H3,(H,27,31)(H,28,30)
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110365
PNG
(CHEMBL3605448)
Show SMILES CC(c1cnn(C)c1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C24H27N5O2/c1-14-10-15(2)27-23(30)20(14)12-25-24(31)22-17(4)29(21-9-7-6-8-19(21)22)16(3)18-11-26-28(5)13-18/h6-11,13,16H,12H2,1-5H3,(H,25,31)(H,27,30)
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n/an/a 73n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110356
PNG
(CHEMBL3605456)
Show SMILES COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12
Show InChI InChI=1S/C25H31N3O4/c1-15-13-22(31-4)20(24(29)27-15)14-26-25(30)23-17(3)28(21-8-6-5-7-19(21)23)16(2)18-9-11-32-12-10-18/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t16-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 in human HeLa cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by ELISA method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110364
PNG
(CHEMBL3605449)
Show SMILES CC(c1ccccn1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C25H26N4O2/c1-15-13-16(2)28-24(30)20(15)14-27-25(31)23-18(4)29(22-11-6-5-9-19(22)23)17(3)21-10-7-8-12-26-21/h5-13,17H,14H2,1-4H3,(H,27,31)(H,28,30)
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110355
PNG
(CHEMBL3605457)
Show SMILES CCS(=O)(=O)N1CCC(CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C27H36N4O5S/c1-6-37(34,35)30-13-11-20(12-14-30)18(3)31-19(4)25(21-9-7-8-10-23(21)31)27(33)28-16-22-24(36-5)15-17(2)29-26(22)32/h7-10,15,18,20H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)/t18-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 in human HeLa cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by ELISA method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110370
PNG
(CHEMBL3605442)
Show SMILES CC(c1ccccc1)n1ccc(cc1=O)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C22H23N3O3/c1-14-11-15(2)24-22(28)19(14)13-23-21(27)18-9-10-25(20(26)12-18)16(3)17-7-5-4-6-8-17/h4-12,16H,13H2,1-3H3,(H,23,27)(H,24,28)
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n/an/a 94n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110366
PNG
(CHEMBL3605447)
Show SMILES C[C@@H](c1ccccc1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C26H27N3O2/c1-16-14-17(2)28-25(30)22(16)15-27-26(31)24-19(4)29(23-13-9-8-12-21(23)24)18(3)20-10-6-5-7-11-20/h5-14,18H,15H2,1-4H3,(H,27,31)(H,28,30)/t18-/m0/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110359
PNG
(CHEMBL3605453)
Show SMILES C[C@H](C1CCOCC1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C25H31N3O3/c1-15-13-16(2)27-24(29)21(15)14-26-25(30)23-18(4)28(22-8-6-5-7-20(22)23)17(3)19-9-11-31-12-10-19/h5-8,13,17,19H,9-12,14H2,1-4H3,(H,26,30)(H,27,29)/t17-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 in human HeLa cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by ELISA method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110362
PNG
(CHEMBL3605451)
Show SMILES CCC(C)n1c(C)c(C(=O)NCc2c(C)cc(C)nc2O)c2ccccc12
Show InChI InChI=1S/C22H27N3O2/c1-6-15(4)25-16(5)20(17-9-7-8-10-19(17)25)22(27)23-12-18-13(2)11-14(3)24-21(18)26/h7-11,15H,6,12H2,1-5H3,(H,23,27)(H,24,26)
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110371
PNG
(CHEMBL3605441)
Show SMILES CC(c1ccccc1)c1ccc(cc1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C23H24N2O2/c1-15-13-16(2)25-23(27)21(15)14-24-22(26)20-11-9-19(10-12-20)17(3)18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,24,26)(H,25,27)
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110363
PNG
(CHEMBL3605450)
Show SMILES CC(C)n1c(C)c(C(=O)NCc2c(C)cc(C)nc2O)c2ccccc12
Show InChI InChI=1S/C21H25N3O2/c1-12(2)24-15(5)19(16-8-6-7-9-18(16)24)21(26)22-11-17-13(3)10-14(4)23-20(17)25/h6-10,12H,11H2,1-5H3,(H,22,26)(H,23,25)
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo Domain 1


(Homo sapiens (Human))
BDBM254917
PNG
(US9493483, 405)
Show SMILES Cc1noc2[C@H](CC(O)=O)N=C(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnn(C)c1
Show InChI InChI=1S/C24H19ClN4O3/c1-13-22-18-8-5-15(16-11-26-29(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)27-20(10-21(30)31)24(22)32-28-13/h3-9,11-12,20H,10H2,1-2H3,(H,30,31)/t20-/m0/s1
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n/an/a 175n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


US Patent US9493483 (2016)


BindingDB Entry DOI: 10.7270/Q26D5RXQ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110354
PNG
(CHEMBL3605458)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)S(=O)(=O)CC)c2ccccc12
Show InChI InChI=1S/C29H40N4O4S/c1-6-10-23-17-19(3)31-28(34)25(23)18-30-29(35)27-21(5)33(26-12-9-8-11-24(26)27)20(4)22-13-15-32(16-14-22)38(36,37)7-2/h8-9,11-12,17,20,22H,6-7,10,13-16,18H2,1-5H3,(H,30,35)(H,31,34)/t20-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 in human HeLa cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by ELISA method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 Bromo Domain 1


(Homo sapiens (Human))
BDBM254916
PNG
(US9493483, 404)
Show SMILES Cc1noc(n1)-c1ccc2-c3c(C)noc3[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C23H18ClN5O3/c1-11-20-16-8-5-14(23-26-12(2)29-32-23)9-17(16)21(13-3-6-15(24)7-4-13)27-18(10-19(25)30)22(20)31-28-11/h3-9,18H,10H2,1-2H3,(H2,25,30)/t18-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Constellation Pharmaceuticals, Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed and purified to homogeneity. BRD4 binding and inhibition was assessed by monitoring the ...


US Patent US9493483 (2016)


BindingDB Entry DOI: 10.7270/Q26D5RXQ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50017293
PNG
(CHEMBL3287735)
Show SMILES CC[C@H](C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 in human HeLa cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by ELISA method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110364
PNG
(CHEMBL3605449)
Show SMILES CC(c1ccccn1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C25H26N4O2/c1-15-13-16(2)28-24(30)20(15)14-27-25(31)23-18(4)29(22-11-6-5-9-19(22)23)17(3)21-10-7-8-12-26-21/h5-13,17H,14H2,1-4H3,(H,27,31)(H,28,30)
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110365
PNG
(CHEMBL3605448)
Show SMILES CC(c1cnn(C)c1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C24H27N5O2/c1-14-10-15(2)27-23(30)20(14)12-25-24(31)22-17(4)29(21-9-7-6-8-19(21)22)16(3)18-11-26-28(5)13-18/h6-11,13,16H,12H2,1-5H3,(H,25,31)(H,27,30)
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 Y641N mutant (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count ba...


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110372
PNG
(CHEMBL3605440)
Show SMILES Cc1cc(C)c(CNC(=O)c2ccc(Oc3ccccc3)cc2)c(=O)[nH]1
Show InChI InChI=1S/C21H20N2O3/c1-14-12-15(2)23-21(25)19(14)13-22-20(24)16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50110350
PNG
(CHEMBL3605446)
Show SMILES C[C@H](c1ccccc1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C26H27N3O2/c1-16-14-17(2)28-25(30)22(16)15-27-26(31)24-19(4)29(23-13-9-8-12-21(23)24)18(3)20-10-6-5-7-11-20/h5-14,18H,15H2,1-4H3,(H,27,31)(H,28,30)/t18-/m1/s1
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EZH2 in human HeLa cells assessed as reduction in H3K27me3 levels incubated for 72 hrs by ELISA method


Bioorg Med Chem Lett 25: 3644-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.056
BindingDB Entry DOI: 10.7270/Q2Q24205
More data for this
Ligand-Target Pair
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