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Patent code US10676479

Compile Data Set for Download or QSAR

Found 360 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polycomb Repressive Complex 2 (PRC2)


(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)
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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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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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n/an/a 0n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)
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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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)
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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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)
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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 ...


US Patent US10676479 (2020)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)
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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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)
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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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)
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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 ...


US Patent US10676479 (2020)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451056
PNG
(5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)N2CCNCC2)c2c(ncn12)C#N
Show InChI InChI=1S/C25H23FN8O/c26-20-2-3-22-17(5-10-35-22)19(20)14-31-25-30-13-18(24-21(11-27)32-15-34(24)25)16-1-4-23(29-12-16)33-8-6-28-7-9-33/h1-4,12-13,15,28H,5-10,14H2,(H,30,31)
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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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451088
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(-c3ncco3)c12
Show InChI InChI=1S/C25H20FN5O4S/c1-36(32,33)16-4-2-15(3-5-16)18-12-28-25(31-14-30-22(23(18)31)24-27-9-11-35-24)29-13-19-17-8-10-34-21(17)7-6-20(19)26/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,28,29)
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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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451055
PNG
(5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...)
Show SMILES Cn1cncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12
Show InChI InChI=1S/C20H16FN7O/c1-27-10-23-9-17(27)14-8-25-20(28-11-26-16(6-22)19(14)28)24-7-13-12-4-5-29-18(12)3-2-15(13)21/h2-3,8-11H,4-5,7H2,1H3,(H,24,25)
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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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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
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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM450969
PNG
(5-(((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)am...)
Show SMILES Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12
Show InChI InChI=1S/C20H16FN7O/c1-12-9-27(10-25-12)17-8-24-20(28-11-26-16(6-22)19(17)28)23-7-14-13-4-5-29-18(13)3-2-15(14)21/h2-3,8-11H,4-5,7H2,1H3,(H,23,24)
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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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM450968
PNG
(8-(1,3-Dimethyl-1H-pyrazol-5-yl)-5-(((5-fluoro-2,3...)
Show SMILES Cc1cc(-c2cnc(NCc3c4CCOc4ccc3F)n3cnc(C#N)c23)n(C)n1
Show InChI InChI=1S/C21H18FN7O/c1-12-7-18(28(2)27-12)15-10-25-21(29-11-26-17(8-23)20(15)29)24-9-14-13-5-6-30-19(13)4-3-16(14)22/h3-4,7,10-11H,5-6,9H2,1-2H3,(H,24,25)
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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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451025
PNG
(8-(4-(azetidin-1-ylmethyl)phenyl)-N-((5-fluoro- | ...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(CN3CCC3)cc2)c2cncn12
Show InChI InChI=1S/C25H24FN5O/c26-22-6-7-24-19(8-11-32-24)21(22)13-29-25-28-12-20(23-14-27-16-31(23)25)18-4-2-17(3-5-18)15-30-9-1-10-30/h2-7,12,14,16H,1,8-11,13,15H2,(H,28,29)
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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 ...


US Patent US10676479 (2020)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451058
PNG
(5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...)
Show SMILES Cc1nn(CCO)c(C)c1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12
Show InChI InChI=1S/C23H22FN7O2/c1-13-21(14(2)31(29-13)6-7-32)17-11-27-23(30-12-28-19(9-25)22(17)30)26-10-16-15-5-8-33-20(15)4-3-18(16)24/h3-4,11-12,32H,5-8,10H2,1-2H3,(H,26,27)
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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 ...


US Patent US10676479 (2020)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM450968
PNG
(8-(1,3-Dimethyl-1H-pyrazol-5-yl)-5-(((5-fluoro-2,3...)
Show SMILES Cc1cc(-c2cnc(NCc3c4CCOc4ccc3F)n3cnc(C#N)c23)n(C)n1
Show InChI InChI=1S/C21H18FN7O/c1-12-7-18(28(2)27-12)15-10-25-21(29-11-26-17(8-23)20(15)29)24-9-14-13-5-6-30-19(13)4-3-16(14)22/h3-4,7,10-11H,5-6,9H2,1-2H3,(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 ...


US Patent US10676479 (2020)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451064
PNG
(US10676479, Example 94 | ethyl 8-(2,4-dimethylpyri...)
Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cnc(C)nc3C)c12
Show InChI InChI=1S/C24H23FN6O3/c1-4-33-23(32)21-22-18(16-9-26-14(3)30-13(16)2)11-28-24(31(22)12-29-21)27-10-17-15-7-8-34-20(15)6-5-19(17)25/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,27,28)
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n/an/a 3.60n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451071
PNG
(8-(2,4-dimethylpyrimidin-5-yl)-N-((5-fluoro-2,3- |...)
Show SMILES Cc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O
Show InChI InChI=1S/C22H21FN6O3S/c1-12-15(8-24-13(2)28-12)17-10-26-22(29-11-27-21(20(17)29)33(3,30)31)25-9-16-14-6-7-32-19(14)5-4-18(16)23/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,25,26)
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n/an/a 3.60n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)
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n/an/a 3.70n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451032
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...)
Show SMILES Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cncc12
Show InChI InChI=1S/C19H17FN6O/c1-12-9-25(11-24-12)16-8-23-19(26-10-21-7-17(16)26)22-6-14-13-4-5-27-18(13)3-2-15(14)20/h2-3,7-11H,4-6H2,1H3,(H,22,23)
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n/an/a 3.70n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451085
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...)
Show SMILES Cc1ccc(cn1)-c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3C)c12
Show InChI InChI=1S/C27H23FN6O/c1-16-5-6-18(12-30-16)25-26-22(19-4-3-10-29-17(19)2)14-32-27(34(26)15-33-25)31-13-21-20-9-11-35-24(20)8-7-23(21)28/h3-8,10,12,14-15H,9,11,13H2,1-2H3,(H,31,32)
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n/an/a 4n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451041
PNG
(5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(CN3CCCC3)cc2)c2c(ncn12)C#N
Show InChI InChI=1S/C27H25FN6O/c28-23-7-8-25-20(9-12-35-25)22(23)15-31-27-30-14-21(26-24(13-29)32-17-34(26)27)19-5-3-18(4-6-19)16-33-10-1-2-11-33/h3-8,14,17H,1-2,9-12,15-16H2,(H,30,31)
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n/an/a 4.10n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM450969
PNG
(5-(((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)am...)
Show SMILES Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12
Show InChI InChI=1S/C20H16FN7O/c1-12-9-27(10-25-12)17-8-24-20(28-11-26-16(6-22)19(17)28)23-7-14-13-4-5-29-18(13)3-2-15(14)21/h2-3,8-11H,4-5,7H2,1H3,(H,23,24)
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n/an/a 4.20n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451064
PNG
(US10676479, Example 94 | ethyl 8-(2,4-dimethylpyri...)
Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cnc(C)nc3C)c12
Show InChI InChI=1S/C24H23FN6O3/c1-4-33-23(32)21-22-18(16-9-26-14(3)30-13(16)2)11-28-24(31(22)12-29-21)27-10-17-15-7-8-34-20(15)6-5-19(17)25/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,27,28)
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n/an/a 4.30n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451024
PNG
(5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067...)
Show SMILES CN(C)C(=O)c1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cncc12
Show InChI InChI=1S/C24H23FN6O2/c1-14-8-20(23(32)30(2)3)27-9-16(14)18-11-29-24(31-13-26-12-21(18)31)28-10-17-15-6-7-33-22(15)5-4-19(17)25/h4-5,8-9,11-13H,6-7,10H2,1-3H3,(H,28,29)
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n/an/a 4.40n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)
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n/an/a 4.5n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451056
PNG
(5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)N2CCNCC2)c2c(ncn12)C#N
Show InChI InChI=1S/C25H23FN8O/c26-20-2-3-22-17(5-10-35-22)19(20)14-31-25-30-13-18(24-21(11-27)32-15-34(24)25)16-1-4-23(29-12-16)33-8-6-28-7-9-33/h1-4,12-13,15,28H,5-10,14H2,(H,30,31)
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n/an/a 4.5n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451055
PNG
(5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...)
Show SMILES Cn1cncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12
Show InChI InChI=1S/C20H16FN7O/c1-27-10-23-9-17(27)14-8-25-20(28-11-26-16(6-22)19(14)28)24-7-13-12-4-5-29-18(12)3-2-15(13)21/h2-3,8-11H,4-5,7H2,1H3,(H,24,25)
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n/an/a 4.5n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451088
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(-c3ncco3)c12
Show InChI InChI=1S/C25H20FN5O4S/c1-36(32,33)16-4-2-15(3-5-16)18-12-28-25(31-14-30-22(23(18)31)24-27-9-11-35-24)29-13-19-17-8-10-34-21(17)7-6-20(19)26/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,28,29)
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n/an/a 4.80n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451026
PNG
(2,2-difluoro-2-(5-(5-(((5-fluoro-2,3- | US10676479...)
Show SMILES Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cncc12)C(F)(F)CO
Show InChI InChI=1S/C23H20F3N5O2/c1-13-14(2-5-21(30-13)23(25,26)11-32)17-9-29-22(31-12-27-10-19(17)31)28-8-16-15-6-7-33-20(15)4-3-18(16)24/h2-5,9-10,12,32H,6-8,11H2,1H3,(H,28,29)
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n/an/a 4.80n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451063
PNG
(US10676479, Example 93 | ethyl 8-(2,6-dimethylpyri...)
Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(C)nc3C)c12
Show InChI InChI=1S/C25H24FN5O3/c1-4-33-24(32)22-23-19(16-6-5-14(2)30-15(16)3)12-28-25(31(23)13-29-22)27-11-18-17-9-10-34-21(17)8-7-20(18)26/h5-8,12-13H,4,9-11H2,1-3H3,(H,27,28)
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n/an/a 4.90n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM450982
PNG
(8-(2,4-dimethylpyrimidin-5-yl)-N-((5-fluoro-2,3- |...)
Show SMILES Cc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H23FN6O3S/c1-16-20(12-29-17(2)33-16)22-14-31-27(30-13-21-19-10-11-37-24(19)9-8-23(21)28)34-15-32-26(25(22)34)38(35,36)18-6-4-3-5-7-18/h3-9,12,14-15H,10-11,13H2,1-2H3,(H,30,31)
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n/an/a 4.90n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)
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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451073
PNG
(8-bromo-N-((5-fluoro-2,3-dihydrobenzofuran-4- | US...)
Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(Br)c12
Show InChI InChI=1S/C16H14BrFN4O3S/c1-26(23,24)15-14-11(17)7-20-16(22(14)8-21-15)19-6-10-9-4-5-25-13(9)3-2-12(10)18/h2-3,7-8H,4-6H2,1H3,(H,19,20)
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n/an/a 5n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451048
PNG
(5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...)
Show SMILES OCc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12
Show InChI InChI=1S/C22H17FN6O2/c23-17-3-4-20-14(5-7-31-20)15(17)9-26-22-27-10-16(13-2-1-6-25-19(13)11-30)21-18(8-24)28-12-29(21)22/h1-4,6,10,12,30H,5,7,9,11H2,(H,26,27)
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n/an/a 5.10n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451063
PNG
(US10676479, Example 93 | ethyl 8-(2,6-dimethylpyri...)
Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(C)nc3C)c12
Show InChI InChI=1S/C25H24FN5O3/c1-4-33-24(32)22-23-19(16-6-5-14(2)30-15(16)3)12-28-25(31(23)13-29-22)27-11-18-17-9-10-34-21(17)8-7-20(18)26/h5-8,12-13H,4,9-11H2,1-3H3,(H,27,28)
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n/an/a 5.10n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451015
PNG
(8-(1,3-dimethyl-1H-pyrazol-5-yl)-N-((5-fluoro- | U...)
Show SMILES Cc1cc(-c2cnc(NCc3c4CCOc4ccc3F)n3cncc23)n(C)n1
Show InChI InChI=1S/C20H19FN6O/c1-12-7-17(26(2)25-12)15-9-24-20(27-11-22-10-18(15)27)23-8-14-13-5-6-28-19(13)4-3-16(14)21/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,23,24)
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n/an/a 5.10n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451021
PNG
(8-(2-(difluoromethyl)pyridin-3-yl)-N-((5-fluoro- |...)
Show SMILES FC(F)c1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cncc12
Show InChI InChI=1S/C21H16F3N5O/c22-16-3-4-18-12(5-7-30-18)14(16)8-27-21-28-9-15(17-10-25-11-29(17)21)13-2-1-6-26-19(13)20(23)24/h1-4,6,9-11,20H,5,7-8H2,(H,27,28)
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n/an/a 5.20n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451049
PNG
(5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...)
Show SMILES CS(=O)(=O)c1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12
Show InChI InChI=1S/C22H17FN6O3S/c1-33(30,31)20-5-2-13(9-25-20)15-10-26-22(29-12-28-18(8-24)21(15)29)27-11-16-14-6-7-32-19(14)4-3-17(16)23/h2-5,9-10,12H,6-7,11H2,1H3,(H,26,27)
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n/an/a 5.30n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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)
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US Patent
n/an/a 5.40n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451046
PNG
(5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...)
Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12
Show InChI InChI=1S/C28H27FN6O/c1-18(34-11-2-3-12-34)19-4-6-20(7-5-19)22-15-31-28(35-17-33-25(14-30)27(22)35)32-16-23-21-10-13-36-26(21)9-8-24(23)29/h4-9,15,17-18H,2-3,10-13,16H2,1H3,(H,31,32)
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n/an/a 5.40n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM450980
PNG
(1-Ethynyl-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12
Show InChI InChI=1S/C22H17FN6O/c1-13-14(3-2-7-25-13)17-11-27-22(29-12-28-19(9-24)21(17)29)26-10-16-15-6-8-30-20(15)5-4-18(16)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,26,27)
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n/an/a 5.40n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(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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n/an/a 5.5n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451088
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(-c3ncco3)c12
Show InChI InChI=1S/C25H20FN5O4S/c1-36(32,33)16-4-2-15(3-5-16)18-12-28-25(31-14-30-22(23(18)31)24-27-9-11-35-24)29-13-19-17-8-10-34-21(17)7-6-20(19)26/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,28,29)
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US Patent
n/an/a 5.5n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM450991
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...)
Show SMILES CS(=O)(=O)c1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cncc12
Show InChI InChI=1S/C21H18FN5O3S/c1-31(28,29)20-5-2-13(8-24-20)15-9-25-21(27-12-23-11-18(15)27)26-10-16-14-6-7-30-19(14)4-3-17(16)22/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,25,26)
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n/an/a 5.5n/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)

More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM451046
PNG
(5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...)
Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12
Show InChI InChI=1S/C28H27FN6O/c1-18(34-11-2-3-12-34)19-4-6-20(7-5-19)22-15-31-28(35-17-33-25(14-30)27(22)35)32-16-23-21-10-13-36-26(21)9-8-24(23)29/h4-9,15,17-18H,2-3,10-13,16H2,1H3,(H,31,32)
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n/an/a 5.60n/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)

More data for this
Ligand-Target Pair
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