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Compile Data Set for Download or QSAR

Found 720 hits Enz. Inhib. hit(s) with Target = 'Polycomb repressive complex 2 (PRC2)'   
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))
BDBM225230
PNG
(EED226)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
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n/an/an/a 114n/an/an/a8.01,390.75



Novartis Institutes for BioMedical Research



Assay Description
ITC experiments were performed by Auto ITC200 (Microcal) at 25 C. ITC sample cell was filled with 10 μM PRC2 in titration buffer (25 mM HEPES p...


Nat Chem Biol 13: 381-388 (2017)


Article DOI: 10.1038/nchembio.2304
BindingDB Entry DOI: 10.7270/Q2S75F64
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb repressive complex 2 (PRC2)


(Homo sapiens (Human))
BDBM225230
PNG
(EED226)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
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n/an/a 23.4n/an/an/an/a8.0n/a



Novartis Institutes for BioMedical Research



Assay Description
To assess the compounds potency in the H3K27me0 peptide (21–44)-based PRC2 enzymatic assay, compounds were serially diluted three-fold in DMSO t...


Nat Chem Biol 13: 381-388 (2017)


Article DOI: 10.1038/nchembio.2304
BindingDB Entry DOI: 10.7270/Q2S75F64
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb repressive complex 2 (PRC2)


(Homo sapiens (Human))
BDBM225230
PNG
(EED226)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
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n/an/a 53.5n/an/an/an/a8.0n/a



Novartis Institutes for BioMedical Research



Assay Description
To assess the compounds potency in the H3K27me0 peptide (21–44)-based PRC2 enzymatic assay, compounds were serially diluted three-fold in DMSO t...


Nat Chem Biol 13: 381-388 (2017)


Article DOI: 10.1038/nchembio.2304
BindingDB Entry DOI: 10.7270/Q2S75F64
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb repressive complex 2 (PRC2)


(Homo sapiens (Human))
BDBM225230
PNG
(EED226)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research



Assay Description
All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383].


Nat Chem Biol 13: 381-388 (2017)


Article DOI: 10.1038/nchembio.2304
BindingDB Entry DOI: 10.7270/Q2S75F64
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
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n/an/a 4.10n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
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)
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n/an/a 8.20n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
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)
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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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
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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n/an/a 5.90n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
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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n/an/a 8.90n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
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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n/an/a 2.60n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
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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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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
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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n/an/a 6.40n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM51317
PNG
(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
Show InChI InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...


Bioorg Med Chem Lett 24: 2486-92 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.010
BindingDB Entry DOI: 10.7270/Q2BR8TR4
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM83922
PNG
(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
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n/an/a 2.81E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...


Bioorg Med Chem Lett 24: 2486-92 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.010
BindingDB Entry DOI: 10.7270/Q2BR8TR4
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM50391429
PNG
(CHEMBL215254)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21
Show InChI InChI=1/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...


Bioorg Med Chem Lett 24: 2486-92 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.010
BindingDB Entry DOI: 10.7270/Q2BR8TR4
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM50017291
PNG
(CHEMBL3287733)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)[C@]2(C)O
Show InChI InChI=1/C18H16O5/c1-8-7-23-17-10-3-5-11-9(4-6-12(19)18(11,2)22)14(10)16(21)15(20)13(8)17/h3,5,7,12,19,22H,4,6H2,1-2H3/t12-,18+/s2
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n/an/a 520n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...


Bioorg Med Chem Lett 24: 2486-92 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.010
BindingDB Entry DOI: 10.7270/Q2BR8TR4
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM50017292
PNG
(CHEMBL3287734)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@]2(C)O
Show InChI InChI=1/C18H16O5/c1-8-7-23-17-10-3-5-11-9(4-6-12(19)18(11,2)22)14(10)16(21)15(20)13(8)17/h3,5,7,12,19,22H,4,6H2,1-2H3/t12-,18-/s2
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n/an/a 550n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...


Bioorg Med Chem Lett 24: 2486-92 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.010
BindingDB Entry DOI: 10.7270/Q2BR8TR4
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM50391431
PNG
(CHEMBL2146517)
Show SMILES COC(=O)[C@@]1(C)CCCc2c1ccc1-c3occ(C)c3C(=O)C(=O)c21
Show InChI InChI=1/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/s2
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n/an/a 9.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...


Bioorg Med Chem Lett 24: 2486-92 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.010
BindingDB Entry DOI: 10.7270/Q2BR8TR4
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM50017293
PNG
(CHEMBL3287735)
Show SMILES CC[C@H](C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Show InChI InChI=1/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/s2
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n/an/a 16n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of EZH2 histone methyltransferase activity in EZH2/SUZ12/EED protein complex (unknown origin) using histone H3 peptide/S-adenosylmethionin...


Bioorg Med Chem Lett 24: 2486-92 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.010
BindingDB Entry DOI: 10.7270/Q2BR8TR4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291793
PNG
(1-(4-(2-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl...)
Show SMILES CC(=O)N1CCN(CCc2ccc(cn2)-c2cnc(NCc3cccc4OCCc34)n3cnnc23)CC1
Show InChI InChI=1S/C27H30N8O2/c1-19(36)34-12-10-33(11-13-34)9-7-22-6-5-21(15-28-22)24-17-30-27(35-18-31-32-26(24)35)29-16-20-3-2-4-25-23(20)8-14-37-25/h2-6,15,17-18H,7-14,16H2,1H3,(H,29,30)
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n/an/a 6.70n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291793
PNG
(1-(4-(2-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl...)
Show SMILES CC(=O)N1CCN(CCc2ccc(cn2)-c2cnc(NCc3cccc4OCCc34)n3cnnc23)CC1
Show InChI InChI=1S/C27H30N8O2/c1-19(36)34-12-10-33(11-13-34)9-7-22-6-5-21(15-28-22)24-17-30-27(35-18-31-32-26(24)35)29-16-20-3-2-4-25-23(20)8-14-37-25/h2-6,15,17-18H,7-14,16H2,1H3,(H,29,30)
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n/an/a 11n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291793
PNG
(1-(4-(2-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl...)
Show SMILES CC(=O)N1CCN(CCc2ccc(cn2)-c2cnc(NCc3cccc4OCCc34)n3cnnc23)CC1
Show InChI InChI=1S/C27H30N8O2/c1-19(36)34-12-10-33(11-13-34)9-7-22-6-5-21(15-28-22)24-17-30-27(35-18-31-32-26(24)35)29-16-20-3-2-4-25-23(20)8-14-37-25/h2-6,15,17-18H,7-14,16H2,1H3,(H,29,30)
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n/an/a 173n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291794
PNG
(4-(2-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)am...)
Show SMILES O=C1CN(CCc2ccc(cn2)-c2cnc(NCc3cccc4OCCc34)n3cnnc23)CCN1
Show InChI InChI=1S/C25H26N8O2/c34-23-15-32(10-8-26-23)9-6-19-5-4-18(12-27-19)21-14-29-25(33-16-30-31-24(21)33)28-13-17-2-1-3-22-20(17)7-11-35-22/h1-5,12,14,16H,6-11,13,15H2,(H,26,34)(H,28,29)
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n/an/a 8.80n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291794
PNG
(4-(2-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)am...)
Show SMILES O=C1CN(CCc2ccc(cn2)-c2cnc(NCc3cccc4OCCc34)n3cnnc23)CCN1
Show InChI InChI=1S/C25H26N8O2/c34-23-15-32(10-8-26-23)9-6-19-5-4-18(12-27-19)21-14-29-25(33-16-30-31-24(21)33)28-13-17-2-1-3-22-20(17)7-11-35-22/h1-5,12,14,16H,6-11,13,15H2,(H,26,34)(H,28,29)
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n/an/a 13.7n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291794
PNG
(4-(2-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)am...)
Show SMILES O=C1CN(CCc2ccc(cn2)-c2cnc(NCc3cccc4OCCc34)n3cnnc23)CCN1
Show InChI InChI=1S/C25H26N8O2/c34-23-15-32(10-8-26-23)9-6-19-5-4-18(12-27-19)21-14-29-25(33-16-30-31-24(21)33)28-13-17-2-1-3-22-20(17)7-11-35-22/h1-5,12,14,16H,6-11,13,15H2,(H,26,34)(H,28,29)
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n/an/a 1.21E+3n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291795
PNG
(2-(4-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)am...)
Show SMILES OCCN1CCN(CC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C25H28N8O2/c34-12-11-31-7-9-32(10-8-31)23-5-4-19(14-26-23)21-16-28-25(33-17-29-30-24(21)33)27-15-18-2-1-3-22-20(18)6-13-35-22/h1-5,14,16-17,34H,6-13,15H2,(H,27,28)
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n/an/a 9.30n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291795
PNG
(2-(4-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)am...)
Show SMILES OCCN1CCN(CC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C25H28N8O2/c34-12-11-31-7-9-32(10-8-31)23-5-4-19(14-26-23)21-16-28-25(33-17-29-30-24(21)33)27-15-18-2-1-3-22-20(18)6-13-35-22/h1-5,14,16-17,34H,6-13,15H2,(H,27,28)
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n/an/a 15.2n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291795
PNG
(2-(4-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)am...)
Show SMILES OCCN1CCN(CC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C25H28N8O2/c34-12-11-31-7-9-32(10-8-31)23-5-4-19(14-26-23)21-16-28-25(33-17-29-30-24(21)33)27-15-18-2-1-3-22-20(18)6-13-35-22/h1-5,14,16-17,34H,6-13,15H2,(H,27,28)
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n/an/a 124n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291796
PNG
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(4-fluoro...)
Show SMILES CNc1cc(F)c(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C20H18FN7O/c1-22-18-7-16(21)14(9-23-18)15-10-25-20(28-11-26-27-19(15)28)24-8-12-3-2-4-17-13(12)5-6-29-17/h2-4,7,9-11H,5-6,8H2,1H3,(H,22,23)(H,24,25)
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n/an/a 19n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291796
PNG
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(4-fluoro...)
Show SMILES CNc1cc(F)c(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C20H18FN7O/c1-22-18-7-16(21)14(9-23-18)15-10-25-20(28-11-26-27-19(15)28)24-8-12-3-2-4-17-13(12)5-6-29-17/h2-4,7,9-11H,5-6,8H2,1H3,(H,22,23)(H,24,25)
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n/an/a 17.4n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291796
PNG
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(4-fluoro...)
Show SMILES CNc1cc(F)c(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C20H18FN7O/c1-22-18-7-16(21)14(9-23-18)15-10-25-20(28-11-26-27-19(15)28)24-8-12-3-2-4-17-13(12)5-6-29-17/h2-4,7,9-11H,5-6,8H2,1H3,(H,22,23)(H,24,25)
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n/an/a 140n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291797
PNG
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(6-(dimet...)
Show SMILES CN(C)c1cc(F)c(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C21H20FN7O/c1-28(2)19-8-17(22)15(10-23-19)16-11-25-21(29-12-26-27-20(16)29)24-9-13-4-3-5-18-14(13)6-7-30-18/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,24,25)
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n/an/a 17.7n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291797
PNG
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(6-(dimet...)
Show SMILES CN(C)c1cc(F)c(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C21H20FN7O/c1-28(2)19-8-17(22)15(10-23-19)16-11-25-21(29-12-26-27-20(16)29)24-9-13-4-3-5-18-14(13)6-7-30-18/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,24,25)
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n/an/a 17.6n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291797
PNG
(N-((2,3-dihydrobenzofuran-4-yl)methyl)-8-(6-(dimet...)
Show SMILES CN(C)c1cc(F)c(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C21H20FN7O/c1-28(2)19-8-17(22)15(10-23-19)16-11-25-21(29-12-26-27-20(16)29)24-9-13-4-3-5-18-14(13)6-7-30-18/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,24,25)
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n/an/a 389n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291798
PNG
(4-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)amino...)
Show SMILES O=CN1CCCN(CC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C25H26N8O2/c34-17-31-8-2-9-32(11-10-31)23-6-5-19(13-26-23)21-15-28-25(33-16-29-30-24(21)33)27-14-18-3-1-4-22-20(18)7-12-35-22/h1,3-6,13,15-17H,2,7-12,14H2,(H,27,28)
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n/an/a 12.7n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291798
PNG
(4-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)amino...)
Show SMILES O=CN1CCCN(CC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C25H26N8O2/c34-17-31-8-2-9-32(11-10-31)23-6-5-19(13-26-23)21-15-28-25(33-16-29-30-24(21)33)27-14-18-3-1-4-22-20(18)7-12-35-22/h1,3-6,13,15-17H,2,7-12,14H2,(H,27,28)
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n/an/a 15.7n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291798
PNG
(4-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)amino...)
Show SMILES O=CN1CCCN(CC1)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C25H26N8O2/c34-17-31-8-2-9-32(11-10-31)23-6-5-19(13-26-23)21-15-28-25(33-16-29-30-24(21)33)27-14-18-3-1-4-22-20(18)7-12-35-22/h1,3-6,13,15-17H,2,7-12,14H2,(H,27,28)
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n/an/a 720n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291799
PNG
(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)amino)-[...)
Show SMILES CCNC(=O)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C22H21N7O2/c1-2-23-21(30)18-7-6-15(10-24-18)17-12-26-22(29-13-27-28-20(17)29)25-11-14-4-3-5-19-16(14)8-9-31-19/h3-7,10,12-13H,2,8-9,11H2,1H3,(H,23,30)(H,25,26)
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n/an/a 15.4n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291799
PNG
(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)amino)-[...)
Show SMILES CCNC(=O)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C22H21N7O2/c1-2-23-21(30)18-7-6-15(10-24-18)17-12-26-22(29-13-27-28-20(17)29)25-11-14-4-3-5-19-16(14)8-9-31-19/h3-7,10,12-13H,2,8-9,11H2,1H3,(H,23,30)(H,25,26)
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n/an/a 18.6n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291799
PNG
(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)amino)-[...)
Show SMILES CCNC(=O)c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C22H21N7O2/c1-2-23-21(30)18-7-6-15(10-24-18)17-12-26-22(29-13-27-28-20(17)29)25-11-14-4-3-5-19-16(14)8-9-31-19/h3-7,10,12-13H,2,8-9,11H2,1H3,(H,23,30)(H,25,26)
PDB

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UniChem
Article
US Patent
n/an/a 1.98E+3n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291800
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2cccnc2F)c2nncn12
Show InChI InChI=1S/C19H14F2N6O/c20-15-3-4-16-11(5-7-28-16)13(15)8-23-19-24-9-14(18-26-25-10-27(18)19)12-2-1-6-22-17(12)21/h1-4,6,9-10H,5,7-8H2,(H,23,24)
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n/an/a 4.70n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291800
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2cccnc2F)c2nncn12
Show InChI InChI=1S/C19H14F2N6O/c20-15-3-4-16-11(5-7-28-16)13(15)8-23-19-24-9-14(18-26-25-10-27(18)19)12-2-1-6-22-17(12)21/h1-4,6,9-10H,5,7-8H2,(H,23,24)
PDB

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n/an/a 6.90n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291800
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2cccnc2F)c2nncn12
Show InChI InChI=1S/C19H14F2N6O/c20-15-3-4-16-11(5-7-28-16)13(15)8-23-19-24-9-14(18-26-25-10-27(18)19)12-2-1-6-22-17(12)21/h1-4,6,9-10H,5,7-8H2,(H,23,24)
PDB

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Article
US Patent
n/an/a 24.3n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291801
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cc(ccn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H17FN6O/c1-12-8-13(4-6-22-12)15-9-23-20(27-11-25-26-19(15)27)24-10-16-14-5-7-28-18(14)3-2-17(16)21/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,23,24)
PDB

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UniChem
Article
US Patent
n/an/a 4.70n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291801
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cc(ccn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H17FN6O/c1-12-8-13(4-6-22-12)15-9-23-20(27-11-25-26-19(15)27)24-10-16-14-5-7-28-18(14)3-2-17(16)21/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,23,24)
PDB

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n/an/a 7.60n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291801
PNG
(N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Show SMILES Cc1cc(ccn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Show InChI InChI=1S/C20H17FN6O/c1-12-8-13(4-6-22-12)15-9-23-20(27-11-25-26-19(15)27)24-10-16-14-5-7-28-18(14)3-2-17(16)21/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,23,24)
PDB

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n/an/a 7.20n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291802
PNG
(3-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)amino...)
Show SMILES O=C1OCCN1c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C22H19N7O3/c30-22-28(7-9-32-22)19-5-4-15(10-23-19)17-12-25-21(29-13-26-27-20(17)29)24-11-14-2-1-3-18-16(14)6-8-31-18/h1-5,10,12-13H,6-9,11H2,(H,24,25)
PDB

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n/an/a 23.5n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291802
PNG
(3-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)amino...)
Show SMILES O=C1OCCN1c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C22H19N7O3/c30-22-28(7-9-32-22)19-5-4-15(10-23-19)17-12-25-21(29-13-26-27-20(17)29)24-11-14-2-1-3-18-16(14)6-8-31-18/h1-5,10,12-13H,6-9,11H2,(H,24,25)
PDB

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Article
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n/an/a 29.4n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2)


(Homo sapiens (Human))
BDBM291802
PNG
(3-(5-(5-(((2,3-dihydrobenzofuran-4-yl)methyl)amino...)
Show SMILES O=C1OCCN1c1ccc(cn1)-c1cnc(NCc2cccc3OCCc23)n2cnnc12
Show InChI InChI=1S/C22H19N7O3/c30-22-28(7-9-32-22)19-5-4-15(10-23-19)17-12-25-21(29-13-26-27-20(17)29)24-11-14-2-1-3-18-16(14)6-8-31-18/h1-5,10,12-13H,6-9,11H2,(H,24,25)
PDB

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n/an/a 480n/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)


Article DOI: 10.1016/j.bmcl.2006.12.051
BindingDB Entry DOI: 10.7270/Q24T6MD7
More data for this
Ligand-Target Pair
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