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Patent code US9624205

Compile Data Set for Download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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
EZH2(Y641F)


(Homo sapiens)
BDBM317637
PNG
(US9624205, 6)
Show SMILES CCC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)n(CC)[nH]c1=O
Show InChI InChI=1S/C30H39N7O2/c1-6-20(4)36-18-19(3)28-24(29(38)33-17-25-21(5)37(7-2)34-30(25)39)14-23(15-26(28)36)22-8-9-27(32-16-22)35-12-10-31-11-13-35/h8-9,14-16,18,20,31H,6-7,10-13,17H2,1-5H3,(H,33,38)(H,34,39)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 233n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US9624205 (2017)

More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens)
BDBM317634
PNG
(US9624205, 3)
Show SMILES CCC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)n(C)nc1OC
Show InChI InChI=1S/C30H39N7O2/c1-7-20(3)37-18-19(2)28-24(29(38)33-17-25-21(4)35(5)34-30(25)39-6)14-23(15-26(28)37)22-8-9-27(32-16-22)36-12-10-31-11-13-36/h8-9,14-16,18,20,31H,7,10-13,17H2,1-6H3,(H,33,38)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 548n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US9624205 (2017)

More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens)
BDBM317635
PNG
(US9624205, 4)
Show SMILES CCC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)n(C)[nH]c1=O
Show InChI InChI=1S/C29H37N7O2/c1-6-19(3)36-17-18(2)27-23(28(37)32-16-24-20(4)34(5)33-29(24)38)13-22(14-25(27)36)21-7-8-26(31-15-21)35-11-9-30-10-12-35/h7-8,13-15,17,19,30H,6,9-12,16H2,1-5H3,(H,32,37)(H,33,38)
PDB
MMDB

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B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US9624205 (2017)

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


(Homo sapiens (Human))
BDBM317637
PNG
(US9624205, 6)
Show SMILES CCC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)n(CC)[nH]c1=O
Show InChI InChI=1S/C30H39N7O2/c1-6-20(4)36-18-19(3)28-24(29(38)33-17-25-21(5)37(7-2)34-30(25)39)14-23(15-26(28)36)22-8-9-27(32-16-22)35-12-10-31-11-13-35/h8-9,14-16,18,20,31H,6-7,10-13,17H2,1-5H3,(H,33,38)(H,34,39)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.47E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG, 100 mM KCl and 0.002% Tween20, prepared on the day...


US Patent US9624205 (2017)

More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens)
BDBM317636
PNG
(US9624205, 5)
Show SMILES CCC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)n(CC)nc1OC
Show InChI InChI=1S/C31H41N7O2/c1-7-21(4)37-19-20(3)29-25(30(39)34-18-26-22(5)38(8-2)35-31(26)40-6)15-24(16-27(29)37)23-9-10-28(33-17-23)36-13-11-32-12-14-36/h9-10,15-17,19,21,32H,7-8,11-14,18H2,1-6H3,(H,34,39)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.99E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US9624205 (2017)

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


(Homo sapiens (Human))
BDBM317634
PNG
(US9624205, 3)
Show SMILES CCC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)n(C)nc1OC
Show InChI InChI=1S/C30H39N7O2/c1-7-20(3)37-18-19(2)28-24(29(38)33-17-25-21(4)35(5)34-30(25)39-6)14-23(15-26(28)37)22-8-9-27(32-16-22)36-12-10-31-11-13-36/h8-9,14-16,18,20,31H,7,10-13,17H2,1-6H3,(H,33,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.33E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG, 100 mM KCl and 0.002% Tween20, prepared on the day...


US Patent US9624205 (2017)

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


(Homo sapiens (Human))
BDBM317635
PNG
(US9624205, 4)
Show SMILES CCC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)n(C)[nH]c1=O
Show InChI InChI=1S/C29H37N7O2/c1-6-19(3)36-17-18(2)27-23(28(37)32-16-24-20(4)34(5)33-29(24)38)13-22(14-25(27)36)21-7-8-26(31-15-21)35-11-9-30-10-12-35/h7-8,13-15,17,19,30H,6,9-12,16H2,1-5H3,(H,32,37)(H,33,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.63E+3n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG, 100 mM KCl and 0.002% Tween20, prepared on the day...


US Patent US9624205 (2017)

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


(Homo sapiens (Human))
BDBM317636
PNG
(US9624205, 5)
Show SMILES CCC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)n(CC)nc1OC
Show InChI InChI=1S/C31H41N7O2/c1-7-21(4)37-19-20(3)29-25(30(39)34-18-26-22(5)38(8-2)35-31(26)40-6)15-24(16-27(29)37)23-9-10-28(33-17-23)36-13-11-32-12-14-36/h9-10,15-17,19,21,32H,7-8,11-14,18H2,1-6H3,(H,34,39)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20E+4n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG, 100 mM KCl and 0.002% Tween20, prepared on the day...


US Patent US9624205 (2017)

More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens)
BDBM317632
PNG
(Syntheses of Compounds in Table 1A | US9624205, 1)
Show SMILES COc1nn(C)c(C)c1CNC(=O)c1c(C)n(C(C)C2CCOCC2)c2ccccc12
Show InChI InChI=1S/C24H32N4O3/c1-15(18-10-12-31-13-11-18)28-17(3)22(19-8-6-7-9-21(19)28)23(29)25-14-20-16(2)27(4)26-24(20)30-5/h6-9,15,18H,10-14H2,1-5H3,(H,25,29)
PDB
MMDB

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B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.80E+4n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US9624205 (2017)

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


(Homo sapiens (Human))
BDBM317632
PNG
(Syntheses of Compounds in Table 1A | US9624205, 1)
Show SMILES COc1nn(C)c(C)c1CNC(=O)c1c(C)n(C(C)C2CCOCC2)c2ccccc12
Show InChI InChI=1S/C24H32N4O3/c1-15(18-10-12-31-13-11-18)28-17(3)22(19-8-6-7-9-21(19)28)23(29)25-14-20-16(2)27(4)26-24(20)30-5/h6-9,15,18H,10-14H2,1-5H3,(H,25,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG, 100 mM KCl and 0.002% Tween20, prepared on the day...


US Patent US9624205 (2017)

More data for this
Ligand-Target Pair
EZH2(Y641F)


(Homo sapiens)
BDBM317633
PNG
(Synthesis of 6-(aminomethyl)-5-(2-(dimethylamino)e...)
Show SMILES CC(C1CCOCC1)n1c(C)c(C(=O)NCc2c(C)n(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C23H30N4O3/c1-14(17-9-11-30-12-10-17)27-16(3)21(18-7-5-6-8-20(18)27)23(29)24-13-19-15(2)26(4)25-22(19)28/h5-8,14,17H,9-13H2,1-4H3,(H,24,29)(H,25,28)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



Epizyme, Inc.

US Patent




US Patent US9624205 (2017)

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


(Homo sapiens (Human))
BDBM317633
PNG
(Synthesis of 6-(aminomethyl)-5-(2-(dimethylamino)e...)
Show SMILES CC(C1CCOCC1)n1c(C)c(C(=O)NCc2c(C)n(C)[nH]c2=O)c2ccccc12
Show InChI InChI=1S/C23H30N4O3/c1-14(17-9-11-30-12-10-17)27-16(3)21(18-7-5-6-8-20(18)27)23(29)24-13-19-15(2)26(4)25-22(19)28/h5-8,14,17H,9-13H2,1-4H3,(H,24,29)(H,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
The assays were performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG, 100 mM KCl and 0.002% Tween20, prepared on the day...


US Patent US9624205 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%