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Compile Data Set for Download or QSAR

Found 1862 hits with Last Name = 'chan' and Initial = 'hm'   
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/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM451038
PNG
(8-(4-((dimethylamino)methyl)phenyl)-N-(2-fluoro- |...)
Show SMILES COc1cccc(F)c1CNc1ncc(-c2ccc(CN(C)C)cc2)c2cncn12
Show InChI InChI=1S/C23H24FN5O/c1-28(2)14-16-7-9-17(10-8-16)18-11-26-23(29-15-25-13-21(18)29)27-12-19-20(24)5-4-6-22(19)30-3/h4-11,13,15H,12,14H2,1-3H3,(H,26,27)
PDB

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n/an/a<0.100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...


US Patent US10676479 (2020)


BindingDB Entry DOI: 10.7270/Q2TQ64M9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM451065
PNG
(US10676479, Example 95 | ethyl 5-(((5-fluoro-2,3-d...)
Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3C)c12
Show InChI InChI=1S/C24H22FN5O3/c1-3-32-23(31)21-22-18(15-5-4-9-26-14(15)2)12-28-24(30(22)13-29-21)27-11-17-16-8-10-33-20(16)7-6-19(17)25/h4-7,9,12-13H,3,8,10-11H2,1-2H3,(H,27,28)
PDB

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n/an/a<0.100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...


US Patent US10676479 (2020)


BindingDB Entry DOI: 10.7270/Q2TQ64M9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM451070
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...)
Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(cc3)S(C)(=O)=O)c12
Show InChI InChI=1S/C23H21FN4O5S2/c1-34(29,30)15-5-3-14(4-6-15)17-11-25-23(28-13-27-22(21(17)28)35(2,31)32)26-12-18-16-9-10-33-20(16)8-7-19(18)24/h3-8,11,13H,9-10,12H2,1-2H3,(H,25,26)
PDB

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n/an/a 0.600n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...


US Patent US10676479 (2020)


BindingDB Entry DOI: 10.7270/Q2TQ64M9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM451062
PNG
(US10676479, Example 92 | ethyl 5-(((5-fluoro-2,3-d...)
Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(cc3)S(C)(=O)=O)c12
Show InChI InChI=1S/C25H23FN4O5S/c1-3-34-24(31)22-23-18(15-4-6-16(7-5-15)36(2,32)33)12-27-25(30(23)14-29-22)28-13-19-17-10-11-35-21(17)9-8-20(19)26/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,27,28)
PDB

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n/an/a 0.700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...


US Patent US10676479 (2020)


BindingDB Entry DOI: 10.7270/Q2TQ64M9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291686
PNG
(8-(1,3-Dimethyl-1H-pyrazol-5-yl)-N-((5-fluoro-2,3-...)
Show SMILES Cc1cc(-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)n(C)n1
Show InChI InChI=1S/C19H18FN7O/c1-11-7-16(26(2)25-11)14-9-22-19(27-10-23-24-18(14)27)21-8-13-12-5-6-28-17(12)4-3-15(13)20/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,21,22)
PDB

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n/an/a 0.900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291686
PNG
(8-(1,3-Dimethyl-1H-pyrazol-5-yl)-N-((5-fluoro-2,3-...)
Show SMILES Cc1cc(-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)n(C)n1
Show InChI InChI=1S/C19H18FN7O/c1-11-7-16(26(2)25-11)14-9-22-19(27-10-23-24-18(14)27)21-8-13-12-5-6-28-17(12)4-3-15(13)20/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,21,22)
PDB

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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291695
PNG
(3-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl...)
Show SMILES [O-][N]1=CC(=CC=C1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |c:3,5,t:1|
Show InChI InChI=1S/C19H15FN6O2/c20-16-3-4-17-13(5-7-28-17)15(16)9-22-19-21-8-14(18-24-23-11-26(18)19)12-2-1-6-25(27)10-12/h1-4,6,8,10-11H,5,7,9H2,(H-,21,22,27)/q-1
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291695
PNG
(3-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl...)
Show SMILES [O-][N]1=CC(=CC=C1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |c:3,5,t:1|
Show InChI InChI=1S/C19H15FN6O2/c20-16-3-4-17-13(5-7-28-17)15(16)9-22-19-21-8-14(18-24-23-11-26(18)19)12-2-1-6-25(27)10-12/h1-4,6,8,10-11H,5,7,9H2,(H-,21,22,27)/q-1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291815
PNG
((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...)
Show SMILES Cc1cc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C(=O)N1CCCC1
Show InChI InChI=1S/C25H24FN7O2/c1-15-10-21(24(34)32-7-2-3-8-32)27-11-17(15)19-13-29-25(33-14-30-31-23(19)33)28-12-18-16-6-9-35-22(16)5-4-20(18)26/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3,(H,28,29)
PDB

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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291815
PNG
((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...)
Show SMILES Cc1cc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C(=O)N1CCCC1
Show InChI InChI=1S/C25H24FN7O2/c1-15-10-21(24(34)32-7-2-3-8-32)27-11-17(15)19-13-29-25(33-14-30-31-23(19)33)28-12-18-16-6-9-35-22(16)5-4-20(18)26/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3,(H,28,29)
PDB

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antibodypedia
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n/an/a 1.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291908
PNG
(8-(6-((dimethylamino)methyl)-2-methylpyridin-3-yl)...)
Show SMILES CN(C)Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C23H24FN7O/c1-14-16(5-4-15(28-14)12-30(2)3)19-11-26-23(31-13-27-29-22(19)31)25-10-18-17-8-9-32-21(17)7-6-20(18)24/h4-7,11,13H,8-10,12H2,1-3H3,(H,25,26)
PDB

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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291925
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-n2ccnc2)c2nncn12
Show InChI InChI=1S/C17H14FN7O/c18-13-1-2-15-11(3-6-26-15)12(13)7-20-17-21-8-14(24-5-4-19-9-24)16-23-22-10-25(16)17/h1-2,4-5,8-10H,3,6-7H2,(H,20,21)
PDB

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n/an/a 1.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291908
PNG
(8-(6-((dimethylamino)methyl)-2-methylpyridin-3-yl)...)
Show SMILES CN(C)Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C23H24FN7O/c1-14-16(5-4-15(28-14)12-30(2)3)19-11-26-23(31-13-27-29-22(19)31)25-10-18-17-8-9-32-21(17)7-6-20(18)24/h4-7,11,13H,8-10,12H2,1-3H3,(H,25,26)
PDB

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n/an/a 1.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291925
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-n2ccnc2)c2nncn12
Show InChI InChI=1S/C17H14FN7O/c18-13-1-2-15-11(3-6-26-15)12(13)7-20-17-21-8-14(24-5-4-19-9-24)16-23-22-10-25(16)17/h1-2,4-5,8-10H,3,6-7H2,(H,20,21)
PDB

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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291909
PNG
(8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C22H21FN6O/c1-3-14-8-13(2)16(9-24-14)18-11-26-22(29-12-27-28-21(18)29)25-10-17-15-6-7-30-20(15)5-4-19(17)23/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,26)
PDB

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n/an/a 1.5n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291909
PNG
(8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C22H21FN6O/c1-3-14-8-13(2)16(9-24-14)18-11-26-22(29-12-27-28-21(18)29)25-10-17-15-6-7-30-20(15)5-4-19(17)23/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,26)
PDB

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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291824
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Show InChI InChI=1S/C21H19FN6O3S/c1-12-13(3-6-19(26-12)32(2,29)30)16-10-24-21(28-11-25-27-20(16)28)23-9-15-14-7-8-31-18(14)5-4-17(15)22/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)
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n/an/a 1.60n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291824
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Show InChI InChI=1S/C21H19FN6O3S/c1-12-13(3-6-19(26-12)32(2,29)30)16-10-24-21(28-11-25-27-20(16)28)23-9-15-14-7-8-31-18(14)5-4-17(15)22/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)
PDB

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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291824
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Show InChI InChI=1S/C21H19FN6O3S/c1-12-13(3-6-19(26-12)32(2,29)30)16-10-24-21(28-11-25-27-20(16)28)23-9-15-14-7-8-31-18(14)5-4-17(15)22/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)
PDB

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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291824
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Show InChI InChI=1S/C21H19FN6O3S/c1-12-13(3-6-19(26-12)32(2,29)30)16-10-24-21(28-11-25-27-20(16)28)23-9-15-14-7-8-31-18(14)5-4-17(15)22/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)
PDB

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n/an/a 1.70n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291814
PNG
((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)C(=O)N2CCCC2)c2nncn12
Show InChI InChI=1S/C24H22FN7O2/c25-19-4-6-21-16(7-10-34-21)18(19)13-28-24-27-12-17(22-30-29-14-32(22)24)15-3-5-20(26-11-15)23(33)31-8-1-2-9-31/h3-6,11-12,14H,1-2,7-10,13H2,(H,27,28)
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TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291909
PNG
(8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C22H21FN6O/c1-3-14-8-13(2)16(9-24-14)18-11-26-22(29-12-27-28-21(18)29)25-10-17-15-6-7-30-20(15)5-4-19(17)23/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,26)
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n/an/a 1.90n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291909
PNG
(8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C22H21FN6O/c1-3-14-8-13(2)16(9-24-14)18-11-26-22(29-12-27-28-21(18)29)25-10-17-15-6-7-30-20(15)5-4-19(17)23/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,26)
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TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291814
PNG
((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)C(=O)N2CCCC2)c2nncn12
Show InChI InChI=1S/C24H22FN7O2/c25-19-4-6-21-16(7-10-34-21)18(19)13-28-24-27-12-17(22-30-29-14-32(22)24)15-3-5-20(26-11-15)23(33)31-8-1-2-9-31/h3-6,11-12,14H,1-2,7-10,13H2,(H,27,28)
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Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291823
PNG
(8-(4-chloro-6-methoxypyridin-3-yl)-N-((5-fluoro-2,...)
Show SMILES COc1cc(Cl)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H16ClFN6O2/c1-29-18-6-15(21)12(7-23-18)14-9-25-20(28-10-26-27-19(14)28)24-8-13-11-4-5-30-17(11)3-2-16(13)22/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,24,25)
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TBA

Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291823
PNG
(8-(4-chloro-6-methoxypyridin-3-yl)-N-((5-fluoro-2,...)
Show SMILES COc1cc(Cl)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H16ClFN6O2/c1-29-18-6-15(21)12(7-23-18)14-9-25-20(28-10-26-27-19(14)28)24-8-13-11-4-5-30-17(11)3-2-16(13)22/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,24,25)
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Novartis AG

US Patent


Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291853
PNG
(8-(2-(difluoromethyl)pyridin-3-yl)-N-((5-fluoro-2,...)
Show SMILES FC(F)c1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H15F3N6O/c21-15-3-4-16-11(5-7-30-16)13(15)8-25-20-26-9-14(19-28-27-10-29(19)20)12-2-1-6-24-17(12)18(22)23/h1-4,6,9-10,18H,5,7-8H2,(H,25,26)
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TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291918
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C18H16FN7O/c1-11-8-25(9-22-11)15-7-21-18(26-10-23-24-17(15)26)20-6-13-12-4-5-27-16(12)3-2-14(13)19/h2-3,7-10H,4-6H2,1H3,(H,20,21)
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TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM451065
PNG
(US10676479, Example 95 | ethyl 5-(((5-fluoro-2,3-d...)
Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3C)c12
Show InChI InChI=1S/C24H22FN5O3/c1-3-32-23(31)21-22-18(15-5-4-9-26-14(15)2)12-28-24(30(22)13-29-21)27-11-17-16-8-10-33-20(16)7-6-19(17)25/h4-7,9,12-13H,3,8,10-11H2,1-2H3,(H,27,28)
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Novartis AG

US Patent


Assay Description
Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...


US Patent US10676479 (2020)


BindingDB Entry DOI: 10.7270/Q2TQ64M9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291918
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C18H16FN7O/c1-11-8-25(9-22-11)15-7-21-18(26-10-23-24-17(15)26)20-6-13-12-4-5-27-16(12)3-2-14(13)19/h2-3,7-10H,4-6H2,1H3,(H,20,21)
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Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM450978
PNG
(1-Chloro-8-(2,4-dimethylpyrimidin-5-yl)-N-((5-fluo...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-13-14(4-3-8-24-13)17-11-26-22(28-12-27-21(20(17)28)32(2,29)30)25-10-16-15-7-9-31-19(15)6-5-18(16)23/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,25,26)
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Novartis AG

US Patent


Assay Description
Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...


US Patent US10676479 (2020)


BindingDB Entry DOI: 10.7270/Q2TQ64M9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291853
PNG
(8-(2-(difluoromethyl)pyridin-3-yl)-N-((5-fluoro-2,...)
Show SMILES FC(F)c1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H15F3N6O/c21-15-3-4-16-11(5-7-30-16)13(15)8-25-20-26-9-14(19-28-27-10-29(19)20)12-2-1-6-24-17(12)18(22)23/h1-4,6,9-10,18H,5,7-8H2,(H,25,26)
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Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291689
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES CC(C)n1cc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H22FN7O/c1-12(2)29-10-17(13(3)27-29)16-9-24-21(28-11-25-26-20(16)28)23-8-15-14-6-7-30-19(14)5-4-18(15)22/h4-5,9-12H,6-8H2,1-3H3,(H,23,24)
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Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291689
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES CC(C)n1cc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H22FN7O/c1-12(2)29-10-17(13(3)27-29)16-9-24-21(28-11-25-26-20(16)28)23-8-15-14-6-7-30-19(14)5-4-18(15)22/h4-5,9-12H,6-8H2,1-3H3,(H,23,24)
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TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM451074
PNG
(8-(2,4-dimethylpyrimidin-5-yl)-1-(ethylsulfonyl)- ...)
Show SMILES CCS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cnc(C)nc3C)c12
Show InChI InChI=1S/C23H23FN6O3S/c1-4-34(31,32)22-21-18(16-9-25-14(3)29-13(16)2)11-27-23(30(21)12-28-22)26-10-17-15-7-8-33-20(15)6-5-19(17)24/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,26,27)
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Novartis AG

US Patent


Assay Description
Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...


US Patent US10676479 (2020)


BindingDB Entry DOI: 10.7270/Q2TQ64M9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291882
PNG
(8-(6-(difluoromethoxy)-4-methylpyridin-3-yl)-N-((5...)
Show SMILES Cc1cc(OC(F)F)ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H17F3N6O2/c1-11-6-18(32-20(23)24)25-7-13(11)15-9-27-21(30-10-28-29-19(15)30)26-8-14-12-4-5-31-17(12)3-2-16(14)22/h2-3,6-7,9-10,20H,4-5,8H2,1H3,(H,26,27)
PDB

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Novartis AG

US Patent


Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291909
PNG
(8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C22H21FN6O/c1-3-14-8-13(2)16(9-24-14)18-11-26-22(29-12-27-28-21(18)29)25-10-17-15-6-7-30-20(15)5-4-19(17)23/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,26)
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Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291909
PNG
(8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C22H21FN6O/c1-3-14-8-13(2)16(9-24-14)18-11-26-22(29-12-27-28-21(18)29)25-10-17-15-6-7-30-20(15)5-4-19(17)23/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,26)
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TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291882
PNG
(8-(6-(difluoromethoxy)-4-methylpyridin-3-yl)-N-((5...)
Show SMILES Cc1cc(OC(F)F)ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H17F3N6O2/c1-11-6-18(32-20(23)24)25-7-13(11)15-9-27-21(30-10-28-29-19(15)30)26-8-14-12-4-5-31-17(12)3-2-16(14)22/h2-3,6-7,9-10,20H,4-5,8H2,1H3,(H,26,27)
PDB

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TBA

Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM451053
PNG
(8-(2-(3,5-dimethylpiperazin-1-yl)-4- | US10676479,...)
Show SMILES CC1CN(CC(C)N1)c1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12
Show InChI InChI=1S/C27H28FN9O/c1-15-12-36(13-16(2)34-15)27-32-9-19(17(3)35-27)21-11-31-26(37-14-33-23(8-29)25(21)37)30-10-20-18-6-7-38-24(18)5-4-22(20)28/h4-5,9,11,14-16,34H,6-7,10,12-13H2,1-3H3,(H,30,31)
PDB

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n/an/a 2.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
To assess the compounds' potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total ...


US Patent US10676479 (2020)


BindingDB Entry DOI: 10.7270/Q2TQ64M9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM450981
PNG
(8-(2-(Difluoromethyl)pyridin-3-yl)-N-((5-fluoro-2,...)
Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3C(F)F)c12
Show InChI InChI=1S/C22H18F3N5O3S/c1-34(31,32)21-19-15(13-3-2-7-26-18(13)20(24)25)10-28-22(30(19)11-29-21)27-9-14-12-6-8-33-17(12)5-4-16(14)23/h2-5,7,10-11,20H,6,8-9H2,1H3,(H,27,28)
PDB

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US Patent
n/an/a 2.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...


US Patent US10676479 (2020)


BindingDB Entry DOI: 10.7270/Q2TQ64M9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291873
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES CC(C)n1ncc(c1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H22FN7O/c1-12(2)29-13(3)15(10-26-29)17-9-24-21(28-11-25-27-20(17)28)23-8-16-14-6-7-30-19(14)5-4-18(16)22/h4-5,9-12H,6-8H2,1-3H3,(H,23,24)
PDB

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n/an/a 2.30n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291873
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES CC(C)n1ncc(c1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H22FN7O/c1-12(2)29-13(3)15(10-26-29)17-9-24-21(28-11-25-27-20(17)28)23-8-16-14-6-7-30-19(14)5-4-18(16)22/h4-5,9-12H,6-8H2,1-3H3,(H,23,24)
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TBA

Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291879
PNG
(8-(2,5-dimethylpyridin-4-yl)-N-((5-fluoro-2,3-dihy...)
Show SMILES Cc1cc(c(C)cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H19FN6O/c1-12-8-23-13(2)7-15(12)17-10-25-21(28-11-26-27-20(17)28)24-9-16-14-5-6-29-19(14)4-3-18(16)22/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,24,25)
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n/an/a 2.40n/an/an/an/a8.0n/a



Novartis AG

US Patent


Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291880
PNG
(8-(1,3-dimethyl-1H-pyrazol-4-yl)-N-((5-fluoro-2,3-...)
Show SMILES Cc1nn(C)cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C19H18FN7O/c1-11-15(9-26(2)25-11)14-8-22-19(27-10-23-24-18(14)27)21-7-13-12-5-6-28-17(12)4-3-16(13)20/h3-4,8-10H,5-7H2,1-2H3,(H,21,22)
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TBA

Assay Description
Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291830
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES COc1cc(ccn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H17FN6O2/c1-28-18-8-12(4-6-22-18)14-9-23-20(27-11-25-26-19(14)27)24-10-15-13-5-7-29-17(13)3-2-16(15)21/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,23,24)
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TBA

Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM291879
PNG
(8-(2,5-dimethylpyridin-4-yl)-N-((5-fluoro-2,3-dihy...)
Show SMILES Cc1cc(c(C)cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H19FN6O/c1-12-8-23-13(2)7-15(12)17-10-25-21(28-11-26-27-20(17)28)24-9-16-14-5-6-29-19(14)4-3-18(16)22/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,24,25)
PDB

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TBA

Assay Description
To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29W0JNH
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM451072
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...)
Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3)c12
Show InChI InChI=1S/C21H18FN5O3S/c1-31(28,29)20-19-15(13-3-2-7-23-9-13)10-24-21(27(19)12-26-20)25-11-16-14-6-8-30-18(14)5-4-17(16)22/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,24,25)
PDB

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n/an/a 2.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...


US Patent US10676479 (2020)


BindingDB Entry DOI: 10.7270/Q2TQ64M9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM451054
PNG
(5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...)
Show SMILES Cc1nc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12)N1CCOCC1
Show InChI InChI=1S/C25H23FN8O2/c1-15-17(11-30-25(32-15)33-5-8-35-9-6-33)19-13-29-24(34-14-31-21(10-27)23(19)34)28-12-18-16-4-7-36-22(16)3-2-20(18)26/h2-3,11,13-14H,4-9,12H2,1H3,(H,28,29)
PDB

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UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
To assess the compounds' potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total ...


US Patent US10676479 (2020)


BindingDB Entry DOI: 10.7270/Q2TQ64M9
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12


(Homo sapiens (Human))
BDBM291880
PNG
(8-(1,3-dimethyl-1H-pyrazol-4-yl)-N-((5-fluoro-2,3-...)
Show SMILES Cc1nn(C)cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C19H18FN7O/c1-11-15(9-26(2)25-11)14-8-22-19(27-10-23-24-18(14)27)21-7-13-12-5-6-28-17(12)4-3-16(13)20/h3-4,8-10H,5-7H2,1-2H3,(H,21,22)
PDB

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US Patent
n/an/a 2.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...


US Patent US9580437 (2017)


BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
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