BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1204 hits of ic50 data for polymerid = 50006178,6661   
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))
BDBM172176
PNG
(EPZ009161 | US10155002, Compound 184 | US9090562, ...)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C34H46N6O3/c1-5-7-25-18-23(3)38-34(42)30(25)22-37-33(41)29-19-27(26-8-9-32(36-21-26)39-14-12-35-13-15-39)20-31(24(29)4)40(6-2)28-10-16-43-17-11-28/h8-9,18-21,28,35H,5-7,10-17,22H2,1-4H3,(H,37,41)(H,38,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.900n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172176
PNG
(EPZ009161 | US10155002, Compound 184 | US9090562, ...)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C34H46N6O3/c1-5-7-25-18-23(3)38-34(42)30(25)22-37-33(41)29-19-27(26-8-9-32(36-21-26)39-14-12-35-13-15-39)20-31(24(29)4)40(6-2)28-10-16-43-17-11-28/h8-9,18-21,28,35H,5-7,10-17,22H2,1-4H3,(H,37,41)(H,38,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.920n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM172176
PNG
(EPZ009161 | US10155002, Compound 184 | US9090562, ...)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C34H46N6O3/c1-5-7-25-18-23(3)38-34(42)30(25)22-37-33(41)29-19-27(26-8-9-32(36-21-26)39-14-12-35-13-15-39)20-31(24(29)4)40(6-2)28-10-16-43-17-11-28/h8-9,18-21,28,35H,5-7,10-17,22H2,1-4H3,(H,37,41)(H,38,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.920n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/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))
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a<1n/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))
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/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))
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/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))
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/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))
BDBM172138
PNG
(EPZ007428 | US10155002, Compound 145 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnn(C)c1
Show InChI InChI=1S/C30H42N6O2/c1-8-36(25-11-9-24(10-12-25)34(5)6)28-15-22(23-16-32-35(7)18-23)14-26(21(28)4)29(37)31-17-27-19(2)13-20(3)33-30(27)38/h13-16,18,24-25H,8-12,17H2,1-7H3,(H,31,37)(H,33,38)/t24-,25-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.39n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM172138
PNG
(EPZ007428 | US10155002, Compound 145 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnn(C)c1
Show InChI InChI=1S/C30H42N6O2/c1-8-36(25-11-9-24(10-12-25)34(5)6)28-15-22(23-16-32-35(7)18-23)14-26(21(28)4)29(37)31-17-27-19(2)13-20(3)33-30(27)38/h13-16,18,24-25H,8-12,17H2,1-7H3,(H,31,37)(H,33,38)/t24-,25-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.39n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172138
PNG
(EPZ007428 | US10155002, Compound 145 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnn(C)c1
Show InChI InChI=1S/C30H42N6O2/c1-8-36(25-11-9-24(10-12-25)34(5)6)28-15-22(23-16-32-35(7)18-23)14-26(21(28)4)29(37)31-17-27-19(2)13-20(3)33-30(27)38/h13-16,18,24-25H,8-12,17H2,1-7H3,(H,31,37)(H,33,38)/t24-,25-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172135
PNG
(EPZ007210 | US10155002, Compound 141 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.51n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM172135
PNG
(EPZ007210 | US10155002, Compound 141 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCOCC2)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.51n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172181
PNG
(US10155002, Compound 189 | US9090562, 189)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C40H57N7O3/c1-6-8-30-23-28(3)43-40(49)36(30)27-42-39(48)35-24-32(25-37(29(35)4)47(7-2)34-13-21-50-22-14-34)31-9-10-38(41-26-31)46-19-17-45(18-20-46)33-11-15-44(5)16-12-33/h9-10,23-26,33-34H,6-8,11-22,27H2,1-5H3,(H,42,48)(H,43,49)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.64n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM172181
PNG
(US10155002, Compound 189 | US9090562, 189)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(nc1)N1CCN(CC1)C1CCN(C)CC1
Show InChI InChI=1S/C40H57N7O3/c1-6-8-30-23-28(3)43-40(49)36(30)27-42-39(48)35-24-32(25-37(29(35)4)47(7-2)34-13-21-50-22-14-34)31-9-10-38(41-26-31)46-19-17-45(18-20-46)33-11-15-44(5)16-12-33/h9-10,23-26,33-34H,6-8,11-22,27H2,1-5H3,(H,42,48)(H,43,49)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.64n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172084
PNG
(US10155002, Compound 90 | US9090562, 90)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNC)cc1
Show InChI InChI=1S/C31H40N4O3/c1-6-35(26-11-13-38-14-12-26)29-17-25(24-9-7-23(8-10-24)18-32-5)16-27(22(29)4)30(36)33-19-28-20(2)15-21(3)34-31(28)37/h7-10,15-17,26,32H,6,11-14,18-19H2,1-5H3,(H,33,36)(H,34,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.99n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172084
PNG
(US10155002, Compound 90 | US9090562, 90)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNC)cc1
Show InChI InChI=1S/C31H40N4O3/c1-6-35(26-11-13-38-14-12-26)29-17-25(24-9-7-23(8-10-24)18-32-5)16-27(22(29)4)30(36)33-19-28-20(2)15-21(3)34-31(28)37/h7-10,15-17,26,32H,6,11-14,18-19H2,1-5H3,(H,33,36)(H,34,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.99n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/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))
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/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))
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/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))
BDBM190223
PNG
(EPZ009158 | US9175331, 60)
Show SMILES CCN(C1CCC(CO)CC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C25H34ClN3O3/c1-5-29(20-8-6-18(14-30)7-9-20)23-12-19(26)11-21(17(23)4)24(31)27-13-22-15(2)10-16(3)28-25(22)32/h10-12,18,20,30H,5-9,13-14H2,1-4H3,(H,27,31)(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.10n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172093
PNG
(US10155002, Compound 99 | US9090562, 99)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCCCO)cc1
Show InChI InChI=1S/C33H44N4O4/c1-5-37(28-11-15-41-16-12-28)31-19-27(26-9-7-25(8-10-26)20-34-13-6-14-38)18-29(24(31)4)32(39)35-21-30-22(2)17-23(3)36-33(30)40/h7-10,17-19,28,34,38H,5-6,11-16,20-21H2,1-4H3,(H,35,39)(H,36,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.37n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172093
PNG
(US10155002, Compound 99 | US9090562, 99)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCCCO)cc1
Show InChI InChI=1S/C33H44N4O4/c1-5-37(28-11-15-41-16-12-28)31-19-27(26-9-7-25(8-10-26)20-34-13-6-14-38)18-29(24(31)4)32(39)35-21-30-22(2)17-23(3)36-33(30)40/h7-10,17-19,28,34,38H,5-6,11-16,20-21H2,1-4H3,(H,35,39)(H,36,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.37n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM172088
PNG
(US10155002, Compound 94 | US9090562, 94)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C34H46N4O3/c1-7-37(8-2)22-26-10-12-27(13-11-26)28-19-30(33(39)35-21-31-23(4)18-24(5)36-34(31)40)25(6)32(20-28)38(9-3)29-14-16-41-17-15-29/h10-13,18-20,29H,7-9,14-17,21-22H2,1-6H3,(H,35,39)(H,36,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.46n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM172088
PNG
(US10155002, Compound 94 | US9090562, 94)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C34H46N4O3/c1-7-37(8-2)22-26-10-12-27(13-11-26)28-19-30(33(39)35-21-31-23(4)18-24(5)36-34(31)40)25(6)32(20-28)38(9-3)29-14-16-41-17-15-29/h10-13,18-20,29H,7-9,14-17,21-22H2,1-6H3,(H,35,39)(H,36,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.46n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM190184
PNG
(EPZ006632 | US9175331, 10)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)nc2=O)c1C)-c1ccc(CN2CCCN(C)CC2)cc1
Show InChI InChI=1S/C36H48N5O3/c1-6-41(31-12-18-44-19-13-31)34-22-30(29-10-8-28(9-11-29)24-40-15-7-14-39(5)16-17-40)21-32(27(34)4)35(42)37-23-33-25(2)20-26(3)38-36(33)43/h8-11,20-22,31H,6-7,12-19,23-24H2,1-5H3,(H,37,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.5n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM190190
PNG
(EPZ007648 | US9175331, 18)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N1CCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C27H37ClN4O2/c1-5-32(22-9-7-21(8-10-22)31-11-6-12-31)25-15-20(28)14-23(19(25)4)26(33)29-16-24-17(2)13-18(3)30-27(24)34/h13-15,21-22H,5-12,16H2,1-4H3,(H,29,33)(H,30,34)/t21-,22-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.5n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172087
PNG
(US10155002, Compound 93 | US9090562, 93)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCC2CC2)cc1
Show InChI InChI=1S/C34H44N4O3/c1-5-38(29-12-14-41-15-13-29)32-18-28(27-10-8-26(9-11-27)20-35-19-25-6-7-25)17-30(24(32)4)33(39)36-21-31-22(2)16-23(3)37-34(31)40/h8-11,16-18,25,29,35H,5-7,12-15,19-21H2,1-4H3,(H,36,39)(H,37,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.58n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM172087
PNG
(US10155002, Compound 93 | US9090562, 93)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNCC2CC2)cc1
Show InChI InChI=1S/C34H44N4O3/c1-5-38(29-12-14-41-15-13-29)32-18-28(27-10-8-26(9-11-27)20-35-19-25-6-7-25)17-30(24(32)4)33(39)36-21-31-22(2)16-23(3)37-34(31)40/h8-11,16-18,25,29,35H,5-7,12-15,19-21H2,1-4H3,(H,36,39)(H,37,40)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.58n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172089
PNG
(US10155002, Compound 95 | US9090562, 95)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNC[C@@H](O)CO)cc1
Show InChI InChI=1S/C33H44N4O5/c1-5-37(27-10-12-42-13-11-27)31-16-26(25-8-6-24(7-9-25)17-34-18-28(39)20-38)15-29(23(31)4)32(40)35-19-30-21(2)14-22(3)36-33(30)41/h6-9,14-16,27-28,34,38-39H,5,10-13,17-20H2,1-4H3,(H,35,40)(H,36,41)/t28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.77n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172089
PNG
(US10155002, Compound 95 | US9090562, 95)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CNC[C@@H](O)CO)cc1
Show InChI InChI=1S/C33H44N4O5/c1-5-37(27-10-12-42-13-11-27)31-16-26(25-8-6-24(7-9-25)17-34-18-28(39)20-38)15-29(23(31)4)32(40)35-19-30-21(2)14-22(3)36-33(30)41/h6-9,14-16,27-28,34,38-39H,5,10-13,17-20H2,1-4H3,(H,35,40)(H,36,41)/t28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.77n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM172174
PNG
(EPZ008681 | US10155002, Compound 182 | US9090562, ...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(cc1)C(=O)NCCCO
Show InChI InChI=1S/C36H49N5O4/c1-7-41(30-15-13-29(14-16-30)40(5)6)33-21-28(26-9-11-27(12-10-26)34(43)37-17-8-18-42)20-31(25(33)4)35(44)38-22-32-23(2)19-24(3)39-36(32)45/h9-12,19-21,29-30,42H,7-8,13-18,22H2,1-6H3,(H,37,43)(H,38,44)(H,39,45)/t29-,30-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.90n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3n/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))
BDBM190217
PNG
(EPZ009152 | US9175331, 54)
Show SMILES CCOC(=O)[C@H]1CC[C@@H](CC1)N(CC)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C27H36ClN3O4/c1-6-31(21-10-8-19(9-11-21)27(34)35-7-2)24-14-20(28)13-22(18(24)5)25(32)29-15-23-16(3)12-17(4)30-26(23)33/h12-14,19,21H,6-11,15H2,1-5H3,(H,29,32)(H,30,33)/t19-,21-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3n/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))
BDBM172074
PNG
(US10155002, Compound 80 | US9090562, 80)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC(F)CC2)cc1
Show InChI InChI=1S/C35H45FN4O3/c1-5-40(30-12-16-43-17-13-30)33-20-28(27-8-6-26(7-9-27)22-39-14-10-29(36)11-15-39)19-31(25(33)4)34(41)37-21-32-23(2)18-24(3)38-35(32)42/h6-9,18-20,29-30H,5,10-17,21-22H2,1-4H3,(H,37,41)(H,38,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.11n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172074
PNG
(US10155002, Compound 80 | US9090562, 80)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC(F)CC2)cc1
Show InChI InChI=1S/C35H45FN4O3/c1-5-40(30-12-16-43-17-13-30)33-20-28(27-8-6-26(7-9-27)22-39-14-10-29(36)11-15-39)19-31(25(33)4)34(41)37-21-32-23(2)18-24(3)38-35(32)42/h6-9,18-20,29-30H,5,10-17,21-22H2,1-4H3,(H,37,41)(H,38,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.11n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM172085
PNG
(US10155002, Compound 91 | US9090562, 91)
Show SMILES CCNCc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C32H42N4O3/c1-6-33-19-24-8-10-25(11-9-24)26-17-28(31(37)34-20-29-21(3)16-22(4)35-32(29)38)23(5)30(18-26)36(7-2)27-12-14-39-15-13-27/h8-11,16-18,27,33H,6-7,12-15,19-20H2,1-5H3,(H,34,37)(H,35,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.15n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM172085
PNG
(US10155002, Compound 91 | US9090562, 91)
Show SMILES CCNCc1ccc(cc1)-c1cc(N(CC)C2CCOCC2)c(C)c(c1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1S/C32H42N4O3/c1-6-33-19-24-8-10-25(11-9-24)26-17-28(31(37)34-20-29-21(3)16-22(4)35-32(29)38)23(5)30(18-26)36(7-2)27-12-14-39-15-13-27/h8-11,16-18,27,33H,6-7,12-15,19-20H2,1-5H3,(H,34,37)(H,35,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.15n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.19n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
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

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.19n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM50193663
PNG
(CHEMBL3929944)
Show SMILES Cc1noc(C)c1-c1ccc2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl
Show InChI InChI=1S/C22H22ClN3O3/c1-11-9-12(2)24-21(27)17(11)10-26-8-7-15-5-6-16(20(23)19(15)22(26)28)18-13(3)25-29-14(18)4/h5-6,9H,7-8,10H2,1-4H3,(H,24,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex using HeLa cells der...


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))
BDBM172184
PNG
(US10155002, Compound 192 | US9090562, 192)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C35H48N6O3/c1-7-41(29-12-16-44-17-13-29)32-20-27(26-8-9-33(36-21-26)40-14-10-28(11-15-40)39(5)6)19-30(25(32)4)34(42)37-22-31-23(2)18-24(3)38-35(31)43/h8-9,18-21,28-29H,7,10-17,22H2,1-6H3,(H,37,42)(H,38,43)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.22n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM172184
PNG
(US10155002, Compound 192 | US9090562, 192)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C35H48N6O3/c1-7-41(29-12-16-44-17-13-29)32-20-27(26-8-9-33(36-21-26)40-14-10-28(11-15-40)39(5)6)19-30(25(32)4)34(42)37-22-31-23(2)18-24(3)38-35(31)43/h8-9,18-21,28-29H,7,10-17,22H2,1-6H3,(H,37,42)(H,38,43)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.22n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172072
PNG
(US10155002, Compound 78 | US9090562, 78)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC(O)CC2)cc1
Show InChI InChI=1S/C35H46N4O4/c1-5-39(29-12-16-43-17-13-29)33-20-28(27-8-6-26(7-9-27)22-38-14-10-30(40)11-15-38)19-31(25(33)4)34(41)36-21-32-23(2)18-24(3)37-35(32)42/h6-9,18-20,29-30,40H,5,10-17,21-22H2,1-4H3,(H,36,41)(H,37,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.24n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM172072
PNG
(US10155002, Compound 78 | US9090562, 78)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC(O)CC2)cc1
Show InChI InChI=1S/C35H46N4O4/c1-5-39(29-12-16-43-17-13-29)33-20-28(27-8-6-26(7-9-27)22-38-14-10-30(40)11-15-38)19-31(25(33)4)34(41)36-21-32-23(2)18-24(3)37-35(32)42/h6-9,18-20,29-30,40H,5,10-17,21-22H2,1-4H3,(H,36,41)(H,37,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.24n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172177
PNG
(US10155002, Compound 185 | US9090562, 185)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(cc(C)[nH]c2=O)C(C)C)c1C)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C34H46N6O3/c1-6-40(27-9-15-43-16-10-27)31-19-26(25-7-8-32(36-20-25)39-13-11-35-12-14-39)18-29(24(31)5)33(41)37-21-30-28(22(2)3)17-23(4)38-34(30)42/h7-8,17-20,22,27,35H,6,9-16,21H2,1-5H3,(H,37,41)(H,38,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.38n/an/an/an/an/a25



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US9090562 (2015)


BindingDB Entry DOI: 10.7270/Q2057DPX
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM172177
PNG
(US10155002, Compound 185 | US9090562, 185)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(cc(C)[nH]c2=O)C(C)C)c1C)-c1ccc(nc1)N1CCNCC1
Show InChI InChI=1S/C34H46N6O3/c1-6-40(27-9-15-43-16-10-27)31-19-26(25-7-8-32(36-20-25)39-13-11-35-12-14-39)18-29(24(31)5)33(41)37-21-30-28(22(2)3)17-23(4)38-34(30)42/h7-8,17-20,22,27,35H,6,9-16,21H2,1-5H3,(H,37,41)(H,38,42)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.38n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....


US Patent US10155002 (2018)

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


(Homo sapiens (Human))
BDBM190208
PNG
(EPZ008630 | US9175331, 43)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl
Show InChI InChI=1S/C25H34BrClN4O2/c1-6-31(19-9-7-18(8-10-19)30(4)5)22-13-17(26)12-20(23(22)27)24(32)28-14-21-15(2)11-16(3)29-25(21)33/h11-13,18-19H,6-10,14H2,1-5H3,(H,28,32)(H,29,33)/t18-,19-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.40n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...


US Patent US9175331 (2015)


BindingDB Entry DOI: 10.7270/Q2ZW1JQP
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1204 total )  |  Next  |  Last  >>
Jump to: