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Patent code US9580437

Compile Data Set for Download or QSAR

Found 709 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
Polycomb Repressive Complex 2 (PRC2)


(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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US Patent
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)

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


(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
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)

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


(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



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)

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


(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)

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


(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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US Patent
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)

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


(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)

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


(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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US Patent
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)

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


(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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US Patent
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)

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


(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)
PDB

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US Patent
n/an/a 1.90n/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)

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


(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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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)

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


(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)
PDB

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US Patent
n/an/a 1.90n/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)

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


(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)
PDB

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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)

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


(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)
PDB

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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)

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


(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)
PDB

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n/an/a 2.10n/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)

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


(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 2.20n/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)

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


(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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US Patent
n/an/a 2.20n/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)

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


(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)

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


(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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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)

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


(Homo sapiens (Human))
BDBM291827
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES COc1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H17FN6O2/c1-28-18-5-2-12(8-22-18)14-9-23-20(27-11-25-26-19(14)27)24-10-15-13-6-7-29-17(13)4-3-16(15)21/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,24)
PDB

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US Patent
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)

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


(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)
PDB

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PC sid
UniChem
US Patent
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)

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


(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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UniChem
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)

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


(Homo sapiens (Human))
BDBM291875
PNG
(2-(4-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)met...)
Show SMILES Cc1nn(CCO)cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H20FN7O2/c1-12-16(10-27(26-12)5-6-29)15-9-23-20(28-11-24-25-19(15)28)22-8-14-13-4-7-30-18(13)3-2-17(14)21/h2-3,9-11,29H,4-8H2,1H3,(H,22,23)
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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)

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


(Homo sapiens (Human))
BDBM291867
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1c(CF)nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H18F2N6O/c1-12-13(4-6-24-18(12)8-22)16-10-26-21(29-11-27-28-20(16)29)25-9-15-14-5-7-30-19(14)3-2-17(15)23/h2-4,6,10-11H,5,7-9H2,1H3,(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)

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


(Homo sapiens (Human))
BDBM291812
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Show InChI InChI=1S/C21H19FN6O3S/c1-12-7-19(32(2,29)30)23-8-14(12)16-10-25-21(28-11-26-27-20(16)28)24-9-15-13-5-6-31-18(13)4-3-17(15)22/h3-4,7-8,10-11H,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 of tw...


US Patent US9580437 (2017)

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


(Homo sapiens (Human))
BDBM291687
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(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)

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


(Homo sapiens (Human))
BDBM291866
PNG
(8-(2-(difluoromethyl)-3-methylpyridin-4-yl)-N-((5-...)
Show SMILES Cc1c(ccnc1C(F)F)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H17F3N6O/c1-11-12(4-6-25-18(11)19(23)24)15-9-27-21(30-10-28-29-20(15)30)26-8-14-13-5-7-31-17(13)3-2-16(14)22/h2-4,6,9-10,19H,5,7-8H2,1H3,(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 of tw...


US Patent US9580437 (2017)

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


(Homo sapiens (Human))
BDBM291914
PNG
(8-(6-ethyl-2-methylpyridin-3-yl)-N-((5-fluoro-2,3-...)
Show SMILES CCc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C22H21FN6O/c1-3-14-4-5-15(13(2)27-14)18-11-25-22(29-12-26-28-21(18)29)24-10-17-16-8-9-30-20(16)7-6-19(17)23/h4-7,11-12H,3,8-10H2,1-2H3,(H,24,25)
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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)

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


(Homo sapiens (Human))
BDBM291693
PNG
(8-(2-Cyclopropyl-4-methylpyrimidin-5-yl)-N-((5-flu...)
Show SMILES Cc1nc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C1CC1
Show InChI InChI=1S/C22H20FN7O/c1-12-15(8-24-20(28-12)13-2-3-13)17-10-26-22(30-11-27-29-21(17)30)25-9-16-14-6-7-31-19(14)5-4-18(16)23/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(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)

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


(Homo sapiens (Human))
BDBM291690
PNG
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES COc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H19FN6O2/c1-12-7-19(29-2)23-8-14(12)16-10-25-21(28-11-26-27-20(16)28)24-9-15-13-5-6-30-18(13)4-3-17(15)22/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,24,25)
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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)

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


(Homo sapiens (Human))
BDBM291854
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cn1nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C18H16FN7O/c1-25-15(4-6-23-25)13-9-21-18(26-10-22-24-17(13)26)20-8-12-11-5-7-27-16(11)3-2-14(12)19/h2-4,6,9-10H,5,7-8H2,1H3,(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)

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


(Homo sapiens (Human))
BDBM291885
PNG
(8-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)-N-...)
Show SMILES Cn1cc(c(n1)C(F)F)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C19H16F3N7O/c1-28-8-13(16(27-28)17(21)22)12-7-24-19(29-9-25-26-18(12)29)23-6-11-10-4-5-30-15(10)3-2-14(11)20/h2-3,7-9,17H,4-6H2,1H3,(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)

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


(Homo sapiens (Human))
BDBM291922
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-n2cccn2)c2nncn12
Show InChI InChI=1S/C17H14FN7O/c18-13-2-3-15-11(4-7-26-15)12(13)8-19-17-20-9-14(25-6-1-5-22-25)16-23-21-10-24(16)17/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)
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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)

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


(Homo sapiens (Human))
BDBM291867
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1c(CF)nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H18F2N6O/c1-12-13(4-6-24-18(12)8-22)16-10-26-21(29-11-27-28-20(16)29)25-9-15-14-5-7-30-19(14)3-2-17(15)23/h2-4,6,10-11H,5,7-9H2,1H3,(H,25,26)
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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)

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


(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
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)

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


(Homo sapiens (Human))
BDBM291852
PNG
(8-(2,6-dimethylpyridin-3-yl)-N-((5-fluoro-2,3-dihy...)
Show SMILES Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C21H19FN6O/c1-12-3-4-14(13(2)26-12)17-10-24-21(28-11-25-27-20(17)28)23-9-16-15-7-8-29-19(15)6-5-18(16)22/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)
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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)

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


(Homo sapiens (Human))
BDBM291816
PNG
(5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl...)
Show SMILES CN(C)C(=O)c1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C23H22FN7O2/c1-13-8-19(22(32)30(2)3)25-9-15(13)17-11-27-23(31-12-28-29-21(17)31)26-10-16-14-6-7-33-20(14)5-4-18(16)24/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,26,27)
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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)

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


(Homo sapiens (Human))
BDBM291860
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES COc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H18FN7O2/c1-11-13(7-24-20(26-11)29-2)15-9-23-19(28-10-25-27-18(15)28)22-8-14-12-5-6-30-17(12)4-3-16(14)21/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,22,23)
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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)

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


(Homo sapiens (Human))
BDBM291688
PNG
(8-(2,4-Dimethylpyrimidin-5-yl)-N-((5-fluoro-2,3-di...)
Show SMILES Cc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H18FN7O/c1-11-14(7-22-12(2)26-11)16-9-24-20(28-10-25-27-19(16)28)23-8-15-13-5-6-29-18(13)4-3-17(15)21/h3-4,7,9-10H,5-6,8H2,1-2H3,(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)

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


(Homo sapiens (Human))
BDBM291877
PNG
(8-(1-cyclopropyl-1H-pyrazol-5-yl)-N-((5-fluoro-2,3...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccnn2C2CC2)c2nncn12
Show InChI InChI=1S/C20H18FN7O/c21-16-3-4-18-13(6-8-29-18)14(16)9-22-20-23-10-15(19-26-24-11-27(19)20)17-5-7-25-28(17)12-1-2-12/h3-5,7,10-12H,1-2,6,8-9H2,(H,22,23)
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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)

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


(Homo sapiens (Human))
BDBM291871
PNG
((2R)-1-(4-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-y...)
Show SMILES C[C@@H](O)Cn1nc(C)c(c1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C22H24FN7O2/c1-12(31)10-30-14(3)20(13(2)28-30)17-9-25-22(29-11-26-27-21(17)29)24-8-16-15-6-7-32-19(15)5-4-18(16)23/h4-5,9,11-12,31H,6-8,10H2,1-3H3,(H,24,25)/t12-/m1/s1
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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)

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


(Homo sapiens (Human))
BDBM291694
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES CC(C)Oc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C22H22FN7O2/c1-12(2)32-22-26-8-15(13(3)28-22)17-10-25-21(30-11-27-29-20(17)30)24-9-16-14-6-7-31-19(14)5-4-18(16)23/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,24,25)
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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)

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


(Homo sapiens (Human))
BDBM291886
PNG
(8-(2-(difluoromethyl)-6-methylpyridin-3-yl)-N-((5-...)
Show SMILES Cc1ccc(-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)c(n1)C(F)F
Show InChI InChI=1S/C21H17F3N6O/c1-11-2-3-13(18(28-11)19(23)24)15-9-26-21(30-10-27-29-20(15)30)25-8-14-12-6-7-31-17(12)5-4-16(14)22/h2-5,9-10,19H,6-8H2,1H3,(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)

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


(Homo sapiens (Human))
BDBM291881
PNG
(8-(6-ethoxy-4-methylpyridin-3-yl)-N-((5-fluoro-2,3...)
Show SMILES CCOc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C22H21FN6O2/c1-3-30-20-8-13(2)15(9-24-20)17-11-26-22(29-12-27-28-21(17)29)25-10-16-14-6-7-31-19(14)5-4-18(16)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
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)

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


(Homo sapiens (Human))
BDBM291832
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cn1cc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C18H16FN7O/c1-25-9-11(6-23-25)13-7-20-18(26-10-22-24-17(13)26)21-8-14-12-4-5-27-16(12)3-2-15(14)19/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,20,21)
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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)

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


(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

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 3.60n/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)

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


(Homo sapiens (Human))
BDBM291892
PNG
(N-((5-Fluorobenzofuran-4-yl)methyl)-8-(2-methylpyr...)
Show SMILES Cc1ncccc1-c1cnc(NCc2c(F)ccc3occc23)n2cnnc12
Show InChI InChI=1S/C20H15FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-8,10-11H,9H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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)

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


(Homo sapiens (Human))
BDBM291846
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES COc1cc(F)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H16F2N6O2/c1-29-18-6-16(22)13(7-23-18)14-9-25-20(28-10-26-27-19(14)28)24-8-12-11-4-5-30-17(11)3-2-15(12)21/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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)

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


(Homo sapiens (Human))
BDBM291813
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O
Show InChI InChI=1S/C22H20FN5O3S/c1-13-9-14(32(2,29)30)3-4-15(13)18-11-25-22(28-12-26-27-21(18)28)24-10-17-16-7-8-31-20(16)6-5-19(17)23/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,24,25)
PDB

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PC sid
UniChem
US Patent
n/an/a 3.70n/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)

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


(Homo sapiens (Human))
BDBM291765
PNG
((5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)amino)-...)
Show SMILES O=C(N1CCCC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C24H23N7O2/c32-23(30-9-1-2-10-30)20-7-6-17(12-25-20)19-14-27-24(31-15-28-29-22(19)31)26-13-16-4-3-5-21-18(16)8-11-33-21/h3-7,12,14-15H,1-2,8-11,13H2,(H,26,27)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 3.70n/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)

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


(Homo sapiens (Human))
BDBM291688
PNG
(8-(2,4-Dimethylpyrimidin-5-yl)-N-((5-fluoro-2,3-di...)
Show SMILES Cc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H18FN7O/c1-11-14(7-22-12(2)26-11)16-9-24-20(28-10-25-27-19(16)28)23-8-15-13-5-6-29-18(13)4-3-17(15)21/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.80n/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)

More data for this
Ligand-Target Pair
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