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Patent code US10478426

Compile Data Set for Download or QSAR
Found 8 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
Human PRC2 complex


(Homo sapiens (Human))
BDBM420317
PNG
(5-Bromo-3-(sec-butoxy)-N-((4,6-dimethyl-2-oxo-1,2-...)
Show SMILES CCC(C)Oc1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1/C20H25BrN2O3/c1-6-13(4)26-18-9-15(21)8-16(14(18)5)19(24)22-10-17-11(2)7-12(3)23-20(17)25/h7-9,13H,6,10H2,1-5H3,(H,22,24)(H,23,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US10478426 (2019)

More data for this
Ligand-Target Pair
Human PRC2 complex


(Homo sapiens (Human))
BDBM420310
PNG
(2-Methyl-3-[(1-methylethyl)amino]-N-[(6-methyl-2-o...)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(NC(C)C)c1C)-c1ccc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C31H42N6O2/c1-7-8-23-15-21(4)35-31(39)27(23)19-33-30(38)26-16-25(17-28(22(26)5)34-20(2)3)24-9-10-29(32-18-24)37-13-11-36(6)12-14-37/h9-10,15-18,20,34H,7-8,11-14,19H2,1-6H3,(H,33,38)(H,35,39)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US10478426 (2019)

More data for this
Ligand-Target Pair
Human PRC2 complex


(Homo sapiens (Human))
BDBM420312
PNG
(5-Bromo-2-methyl-3-[(1-methylethyl)amino]-N-{[6-me...)
Show SMILES CC(C)Nc1cc(Br)cc(C(=O)NCc2c(Cc3ccccc3)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C25H28BrN3O2/c1-15(2)28-23-13-20(26)12-21(17(23)4)24(30)27-14-22-19(10-16(3)29-25(22)31)11-18-8-6-5-7-9-18/h5-10,12-13,15,28H,11,14H2,1-4H3,(H,27,30)(H,29,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US10478426 (2019)

More data for this
Ligand-Target Pair
Human PRC2 complex


(Homo sapiens (Human))
BDBM420316
PNG
(2,5-Dichloro-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-...)
Show SMILES CC(C)Oc1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl
Show InChI InChI=1S/C18H20Cl2N2O3/c1-9(2)25-15-7-12(19)6-13(16(15)20)17(23)21-8-14-10(3)5-11(4)22-18(14)24/h5-7,9H,8H2,1-4H3,(H,21,23)(H,22,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 250n/an/an/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US10478426 (2019)

More data for this
Ligand-Target Pair
Human PRC2 complex


(Homo sapiens (Human))
BDBM420317
PNG
(5-Bromo-3-(sec-butoxy)-N-((4,6-dimethyl-2-oxo-1,2-...)
Show SMILES CCC(C)Oc1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1/C20H25BrN2O3/c1-6-13(4)26-18-9-15(21)8-16(14(18)5)19(24)22-10-17-11(2)7-12(3)23-20(17)25/h7-9,13H,6,10H2,1-5H3,(H,22,24)(H,23,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 316n/an/an/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US10478426 (2019)

More data for this
Ligand-Target Pair
Human PRC2 complex


(Homo sapiens (Human))
BDBM420308
PNG
(5-Bromo-2-methyl-3-[(1-methylethyl)amino]-N-[(6-me...)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Br)cc(NC(C)C)c1C
Show InChI InChI=1S/C21H28BrN3O2/c1-6-7-15-8-13(4)25-21(27)18(15)11-23-20(26)17-9-16(22)10-19(14(17)5)24-12(2)3/h8-10,12,24H,6-7,11H2,1-5H3,(H,23,26)(H,25,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 501n/an/an/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US10478426 (2019)

More data for this
Ligand-Target Pair
Human PRC2 complex


(Homo sapiens (Human))
BDBM420319
PNG
(5óChloro-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyri...)
Show SMILES CC(CO)Nc1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1/C19H24ClN3O3/c1-10-5-11(2)23-19(26)16(10)8-21-18(25)15-6-14(20)7-17(13(15)4)22-12(3)9-24/h5-7,12,22,24H,8-9H2,1-4H3,(H,21,25)(H,23,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US10478426 (2019)

More data for this
Ligand-Target Pair
Human PRC2 complex


(Homo sapiens (Human))
BDBM50193711
PNG
(CHEMBL3955846 | US10478426, Example 36)
Show SMILES COc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
Show InChI InChI=1S/C17H20N2O3/c1-10-8-11(2)19-17(21)14(10)9-18-16(20)13-6-5-7-15(22-4)12(13)3/h5-8H,9H2,1-4H3,(H,18,20)(H,19,21)
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CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.50E+3n/an/an/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...


US Patent US10478426 (2019)

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