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Patent code US9446064

Compile Data Set for Download or QSAR
Found 9 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
Histone H3-K79 methyltransferase (DOT1L)


(Homo sapiens (Human))
BDBM244794
PNG
(US9446064, A75)
Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1
Show InChI InChI=1S/C31H43N7O3/c1-17(2)38(15-24-26(39)27(40)30(41-24)37-11-10-21-28(32)33-16-34-29(21)37)20-12-18(13-20)6-9-25-35-22-8-7-19(31(3,4)5)14-23(22)36-25/h7-8,10-11,14,16-18,20,24,26-27,30,39-40H,6,9,12-13,15H2,1-5H3,(H,35,36)(H2,32,33,34)/t18-,20-,24-,26-,27-,30-/m1/s1
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UniChem
US Patent
n/an/a 0.590n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or...


Citation and Details
More data for this
Ligand-Target Pair
Histone H3-K79 methyltransferase (DOT1L)


(Homo sapiens (Human))
BDBM244792
PNG
(US9446064, A5)
Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(Cl)c(cc3[nH]2)C(F)(F)F)C1
Show InChI InChI=1S/C27H32ClF3N8O3/c1-12(2)38(9-19-22(40)23(41)26(42-19)39-11-35-21-24(32)33-10-34-25(21)39)14-5-13(6-14)3-4-20-36-17-7-15(27(29,30)31)16(28)8-18(17)37-20/h7-8,10-14,19,22-23,26,40-41H,3-6,9H2,1-2H3,(H,36,37)(H2,32,33,34)/t13-,14+,19-,22-,23-,26-/m1/s1
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US Patent
n/an/a 0.590n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or...


Citation and Details
More data for this
Ligand-Target Pair
Histone H3-K79 methyltransferase (DOT1L)


(Homo sapiens (Human))
BDBM244795
PNG
(US9446064, A86)
Show SMILES CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1
Show InChI InChI=1S/C29H39N7O3/c1-29(2,3)17-6-7-20-21(13-17)34-23(33-20)8-5-16-11-18(12-16)35(4)14-22-24(37)25(38)28(39-22)36-10-9-19-26(30)31-15-32-27(19)36/h6-7,9-10,13,15-16,18,22,24-25,28,37-38H,5,8,11-12,14H2,1-4H3,(H,33,34)(H2,30,31,32)/t16-,18+,22-,24-,25-,28-/m1/s1
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UniChem
US Patent
n/an/a 0.620n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or...


Citation and Details
More data for this
Ligand-Target Pair
Histone H3-K79 methyltransferase (DOT1L)


(Homo sapiens (Human))
BDBM244791
PNG
(US9446064, A3)
Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1
Show InChI InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19-,22-,25-,26-,29-/m1/s1
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UniChem
US Patent
n/an/a 0.730n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or...


Citation and Details
More data for this
Ligand-Target Pair
Histone H3-K79 methyltransferase (DOT1L)


(Homo sapiens (Human))
BDBM50075098
PNG
(CHEMBL3414626 | US9446064, A2)
Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1
Show InChI InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19+,22-,25-,26-,29-/m1/s1
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PDB
UniChem

Similars

US Patent
n/an/a 0.740n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or...


Citation and Details
More data for this
Ligand-Target Pair
Histone H3-K79 methyltransferase (DOT1L)


(Homo sapiens (Human))
BDBM244796
PNG
(US9446064, A87)
Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1
Show InChI InChI=1S/C28H34F3N7O4/c1-14(2)38(12-21-23(39)24(40)27(41-21)37-8-7-18-25(32)33-13-34-26(18)37)16-9-15(10-16)3-6-22-35-19-5-4-17(11-20(19)36-22)42-28(29,30)31/h4-5,7-8,11,13-16,21,23-24,27,39-40H,3,6,9-10,12H2,1-2H3,(H,35,36)(H2,32,33,34)/t15-,16+,21-,23-,24-,27-/m1/s1
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US Patent
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Epizyme, Inc.

US Patent


Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or...


Citation and Details
More data for this
Ligand-Target Pair
Histone H3-K79 methyltransferase (DOT1L)


(Homo sapiens (Human))
BDBM244797
PNG
(US9446064, A91)
Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3ccc(OC(F)(F)F)cc3n2)C1
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US Patent
n/an/a 2.18n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or...


Citation and Details
More data for this
Ligand-Target Pair
Histone H3-K79 methyltransferase (DOT1L)


(Homo sapiens (Human))
BDBM244793
PNG
(US9446064, A69)
Show SMILES CN(C[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1
Show InChI InChI=1S/C30H41N7O2/c1-30(2,3)19-6-7-22-23(14-19)35-25(34-22)8-5-17-11-20(12-17)36(4)15-18-13-24(27(39)26(18)38)37-10-9-21-28(31)32-16-33-29(21)37/h6-7,9-10,14,16-18,20,24,26-27,38-39H,5,8,11-13,15H2,1-4H3,(H,34,35)(H2,31,32,33)/t17-,18-,20+,24-,26-,27+/m1/s1
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US Patent
n/an/a 2.51n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or...


Citation and Details
More data for this
Ligand-Target Pair
Histone H3-K79 methyltransferase (DOT1L)


(Homo sapiens (Human))
BDBM244798
PNG
(US9446064, A93)
Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](CCc2nc3ccc(OC(F)(F)F)cc3n2)C1
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US Patent
n/an/a 2.92n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or...


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