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Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50049189   
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 protein EED


(Homo sapiens (Human))
BDBM172038
PNG
(US10155002, Compound 44 | US10647700, Compound EPZ...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236010
PNG
(CHEMBL4103319)
Show SMILES C(Nc1ncc(-c2ccc(CN3CCCC3)cc2)c2nncn12)c1ccco1
Show InChI InChI=1S/C21H22N6O/c1-2-10-26(9-1)14-16-5-7-17(8-6-16)19-13-23-21(27-15-24-25-20(19)27)22-12-18-4-3-11-28-18/h3-8,11,13,15H,1-2,9-10,12,14H2,(H,22,23)
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235996
PNG
(CHEMBL4079806)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccoc2)n2cnnc12
Show InChI InChI=1S/C21H20N6O/c1-26(2)12-15-3-5-17(6-4-15)19-9-18(10-22)20(27-14-24-25-21(19)27)23-11-16-7-8-28-13-16/h3-9,13-14,23H,11-12H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235990
PNG
(CHEMBL4088683)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C21H20N6O/c1-26(2)13-15-5-7-16(8-6-15)19-10-17(11-22)20(27-14-24-25-21(19)27)23-12-18-4-3-9-28-18/h3-10,14,23H,12-13H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236013
PNG
(CHEMBL4081748)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C19H20N6O/c1-24(2)12-14-5-7-15(8-6-14)17-11-21-19(25-13-22-23-18(17)25)20-10-16-4-3-9-26-16/h3-9,11,13H,10,12H2,1-2H3,(H,20,21)
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235997
PNG
(CHEMBL4105572)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccoc2)n2cnnc12
Show InChI InChI=1S/C19H20N6O/c1-24(2)11-14-3-5-16(6-4-14)17-10-21-19(25-13-22-23-18(17)25)20-9-15-7-8-26-12-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,20,21)
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n/an/a 19n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236006
PNG
(CHEMBL4099766)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2cccs2)n2cnnc12
Show InChI InChI=1S/C21H20N6S/c1-26(2)13-15-5-7-16(8-6-15)19-10-17(11-22)20(27-14-24-25-21(19)27)23-12-18-4-3-9-28-18/h3-10,14,23H,12-13H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236010
PNG
(CHEMBL4103319)
Show SMILES C(Nc1ncc(-c2ccc(CN3CCCC3)cc2)c2nncn12)c1ccco1
Show InChI InChI=1S/C21H22N6O/c1-2-10-26(9-1)14-16-5-7-17(8-6-16)19-13-23-21(27-15-24-25-20(19)27)22-12-18-4-3-11-28-18/h3-8,11,13,15H,1-2,9-10,12,14H2,(H,22,23)
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n/an/a 32n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM172038
PNG
(US10155002, Compound 44 | US10647700, Compound EPZ...)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236012
PNG
(CHEMBL4066526)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(NCc2sccc2C)n2cnnc12
Show InChI InChI=1S/C20H22N6S/c1-14-8-9-27-18(14)11-22-20-21-10-17(19-24-23-13-26(19)20)16-6-4-15(5-7-16)12-25(2)3/h4-10,13H,11-12H2,1-3H3,(H,21,22)
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n/an/a 49n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236016
PNG
(CHEMBL4076858)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccccc2)n2cnnc12
Show InChI InChI=1S/C21H22N6/c1-26(2)14-17-8-10-18(11-9-17)19-13-23-21(27-15-24-25-20(19)27)22-12-16-6-4-3-5-7-16/h3-11,13,15H,12,14H2,1-2H3,(H,22,23)
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n/an/a 49n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235991
PNG
(CHEMBL4105039)
Show SMILES C(Nc1ncc(-c2ccccc2)c2nncn12)c1ccco1
Show InChI InChI=1S/C16H13N5O/c1-2-5-12(6-3-1)14-10-18-16(21-11-19-20-15(14)21)17-9-13-7-4-8-22-13/h1-8,10-11H,9H2,(H,17,18)
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n/an/a 52n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236023
PNG
(CHEMBL4081454)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(NCc2sccc2Cl)n2cnnc12
Show InChI InChI=1S/C19H19ClN6S/c1-25(2)11-13-3-5-14(6-4-13)15-9-21-19(26-12-23-24-18(15)26)22-10-17-16(20)7-8-27-17/h3-9,12H,10-11H2,1-2H3,(H,21,22)
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n/an/a 53n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235989
PNG
(CHEMBL4067448)
Show SMILES N#Cc1cc(-c2ccccc2)c2nncn2c1NCc1ccco1
Show InChI InChI=1S/C18H13N5O/c19-10-14-9-16(13-5-2-1-3-6-13)18-22-21-12-23(18)17(14)20-11-15-7-4-8-24-15/h1-9,12,20H,11H2
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n/an/a 62n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236000
PNG
(CHEMBL4095382)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccon2)n2cnnc12
Show InChI InChI=1S/C20H19N7O/c1-26(2)12-14-3-5-15(6-4-14)18-9-16(10-21)19(27-13-23-24-20(18)27)22-11-17-7-8-28-25-17/h3-9,13,22H,11-12H2,1-2H3
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n/an/a 69n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236002
PNG
(CHEMBL4103134)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccno2)n2cnnc12
Show InChI InChI=1S/C20H19N7O/c1-26(2)12-14-3-5-15(6-4-14)18-9-16(10-21)19(27-13-23-25-20(18)27)22-11-17-7-8-24-28-17/h3-9,13,22H,11-12H2,1-2H3
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n/an/a 69n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235995
PNG
(CHEMBL4097833)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(NCc2cccs2)n2cnnc12
Show InChI InChI=1S/C19H20N6S/c1-24(2)12-14-5-7-15(8-6-14)17-11-21-19(25-13-22-23-18(17)25)20-10-16-4-3-9-26-16/h3-9,11,13H,10,12H2,1-2H3,(H,20,21)
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n/an/a 93n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236024
PNG
(CHEMBL4085389)
Show SMILES COc1ccccc1CNc1ncc(-c2ccc(CN(C)C)cc2)c2nncn12
Show InChI InChI=1S/C22H24N6O/c1-27(2)14-16-8-10-17(11-9-16)19-13-24-22(28-15-25-26-21(19)28)23-12-18-6-4-5-7-20(18)29-3/h4-11,13,15H,12,14H2,1-3H3,(H,23,24)
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n/an/a 94n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236011
PNG
(CHEMBL4086716)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccno2)n2cnnc12
Show InChI InChI=1S/C18H19N7O/c1-24(2)11-13-3-5-14(6-4-13)16-10-20-18(25-12-21-23-17(16)25)19-9-15-7-8-22-26-15/h3-8,10,12H,9,11H2,1-2H3,(H,19,20)
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n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236009
PNG
(CHEMBL4104753)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccc(F)s2)n2cnnc12
Show InChI InChI=1S/C19H19FN6S/c1-25(2)11-13-3-5-14(6-4-13)16-10-22-19(26-12-23-24-18(16)26)21-9-15-7-8-17(20)27-15/h3-8,10,12H,9,11H2,1-2H3,(H,21,22)
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n/an/a 150n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235998
PNG
(CHEMBL4087691)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2cnco2)n2cnnc12
Show InChI InChI=1S/C20H19N7O/c1-26(2)11-14-3-5-15(6-4-14)18-7-16(8-21)19(27-12-24-25-20(18)27)23-10-17-9-22-13-28-17/h3-7,9,12-13,23H,10-11H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235992
PNG
(CHEMBL4093147)
Show SMILES Fc1ccccc1-c1cc(C#N)c(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C18H12FN5O/c19-16-6-2-1-5-14(16)15-8-12(9-20)17(24-11-22-23-18(15)24)21-10-13-4-3-7-25-13/h1-8,11,21H,10H2
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n/an/a 210n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235992
PNG
(CHEMBL4093147)
Show SMILES Fc1ccccc1-c1cc(C#N)c(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C18H12FN5O/c19-16-6-2-1-5-14(16)15-8-12(9-20)17(24-11-22-23-18(15)24)21-10-13-4-3-7-25-13/h1-8,11,21H,10H2
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n/an/a 210n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM225230
PNG
(EED226 | US11013745, Compound 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 220n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM225230
PNG
(EED226 | US11013745, Compound 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 220n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236017
PNG
(CHEMBL4070157)
Show SMILES C(Nc1ncc(-c2ccccc2)c2cncn12)c1ccco1
Show InChI InChI=1S/C17H14N4O/c1-2-5-13(6-3-1)15-10-20-17(21-12-18-11-16(15)21)19-9-14-7-4-8-22-14/h1-8,10-12H,9H2,(H,19,20)
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n/an/a 260n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235999
PNG
(CHEMBL4067992)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(NCc2cnco2)n2cnnc12
Show InChI InChI=1S/C18H19N7O/c1-24(2)10-13-3-5-14(6-4-13)16-9-21-18(25-11-22-23-17(16)25)20-8-15-7-19-12-26-15/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,21)
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n/an/a 290n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236008
PNG
(CHEMBL4065278)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccc(F)s2)n2cnnc12
Show InChI InChI=1S/C21H19FN6S/c1-27(2)12-14-3-5-15(6-4-14)18-9-16(10-23)20(28-13-25-26-21(18)28)24-11-17-7-8-19(22)29-17/h3-9,13,24H,11-12H2,1-2H3
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n/an/a 510n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236003
PNG
(CHEMBL4096234)
Show SMILES N#Cc1c2CCN(Cc3ccccc3)Cc2c2nncn2c1NCc1ccco1
Show InChI InChI=1S/C22H20N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-7,10,15,24H,8-9,12-14H2
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n/an/a 620n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL incub...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236001
PNG
(CHEMBL4078858)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccon2)n2cnnc12
Show InChI InChI=1S/C18H19N7O/c1-24(2)11-13-3-5-14(6-4-13)16-10-20-18(25-12-21-22-17(16)25)19-9-15-7-8-26-23-15/h3-8,10,12H,9,11H2,1-2H3,(H,19,20)
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n/an/a 770n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235994
PNG
(CHEMBL4063655)
Show SMILES N#Cc1ccc2nncn2c1NCc1ccco1
Show InChI InChI=1S/C12H9N5O/c13-6-9-3-4-11-16-15-8-17(11)12(9)14-7-10-2-1-5-18-10/h1-5,8,14H,7H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236015
PNG
(CHEMBL4061496)
Show SMILES C(Nc1ncc(-c2ccccc2)n2cncc12)c1ccco1
Show InChI InChI=1S/C17H14N4O/c1-2-5-13(6-3-1)15-11-20-17(16-10-18-12-21(15)16)19-9-14-7-4-8-22-14/h1-8,10-12H,9H2,(H,19,20)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236020
PNG
(CHEMBL4086879)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccc(C)s2)n2cnnc12
Show InChI InChI=1S/C22H22N6S/c1-15-4-9-19(29-15)12-24-21-18(11-23)10-20(22-26-25-14-28(21)22)17-7-5-16(6-8-17)13-27(2)3/h4-10,14,24H,12-13H2,1-3H3
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n/an/a 2.22E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236021
PNG
(CHEMBL4064552)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2sccc2Cl)n2cnnc12
Show InChI InChI=1S/C21H19ClN6S/c1-27(2)12-14-3-5-15(6-4-14)17-9-16(10-23)20(28-13-25-26-21(17)28)24-11-19-18(22)7-8-29-19/h3-9,13,24H,11-12H2,1-2H3
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n/an/a 2.34E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236007
PNG
(CHEMBL4089623)
Show SMILES C(Nc1cnc(-c2ccccc2)c2nncn12)c1ccco1
Show InChI InChI=1S/C16H13N5O/c1-2-5-12(6-3-1)15-16-20-19-11-21(16)14(10-18-15)17-9-13-7-4-8-22-13/h1-8,10-11,17H,9H2
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n/an/a 3.52E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236003
PNG
(CHEMBL4096234)
Show SMILES N#Cc1c2CCN(Cc3ccccc3)Cc2c2nncn2c1NCc1ccco1
Show InChI InChI=1S/C22H20N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-7,10,15,24H,8-9,12-14H2
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n/an/a 4.03E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236003
PNG
(CHEMBL4096234)
Show SMILES N#Cc1c2CCN(Cc3ccccc3)Cc2c2nncn2c1NCc1ccco1
Show InChI InChI=1S/C22H20N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-7,10,15,24H,8-9,12-14H2
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n/an/a 4.03E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50035558
PNG
(5-(2-Fluoro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoq...)
Show SMILES Fc1ccccc1C1=Cc2ccccc2C2=NCCN12 |t:8,17|
Show InChI InChI=1S/C17H13FN2/c18-15-8-4-3-7-14(15)16-11-12-5-1-2-6-13(12)17-19-9-10-20(16)17/h1-8,11H,9-10H2
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n/an/a 6.04E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236022
PNG
(CHEMBL4097028)
Show SMILES CN(C)Cc1ccc(cc1)-c1cnc(NCc2ccc(C)s2)n2cnnc12
Show InChI InChI=1S/C20H22N6S/c1-14-4-9-17(27-14)10-21-20-22-11-18(19-24-23-13-26(19)20)16-7-5-15(6-8-16)12-25(2)3/h4-9,11,13H,10,12H2,1-3H3,(H,21,22)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236014
PNG
(CHEMBL4097339)
Show SMILES C(Nc1ccc(-c2ccccc2)c2cncn12)c1ccco1
Show InChI InChI=1S/C18H15N3O/c1-2-5-14(6-3-1)16-8-9-18(21-13-19-12-17(16)21)20-11-15-7-4-10-22-15/h1-10,12-13,20H,11H2
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n/an/a 1.41E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236019
PNG
(CHEMBL4101492)
Show SMILES COc1ccccc1CNc1c(cc(-c2ccc(CN(C)C)cc2)c2nncn12)C#N
Show InChI InChI=1S/C24H24N6O/c1-29(2)15-17-8-10-18(11-9-17)21-12-20(13-25)23(30-16-27-28-24(21)30)26-14-19-6-4-5-7-22(19)31-3/h4-12,16,26H,14-15H2,1-3H3
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n/an/a 1.49E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235988
PNG
(CHEMBL4080815)
Show SMILES C(Nc1ncc(-c2ccccc2)c2nccn12)c1ccco1
Show InChI InChI=1S/C17H14N4O/c1-2-5-13(6-3-1)15-12-20-17(21-9-8-18-16(15)21)19-11-14-7-4-10-22-14/h1-10,12H,11H2,(H,19,20)
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n/an/a 2.05E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236005
PNG
(CHEMBL4059484)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2ccccc2)n2cnnc12
Show InChI InChI=1S/C23H22N6/c1-28(2)15-18-8-10-19(11-9-18)21-12-20(13-24)22(29-16-26-27-23(21)29)25-14-17-6-4-3-5-7-17/h3-12,16,25H,14-15H2,1-2H3
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n/an/a 2.18E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50236018
PNG
(CHEMBL4079016)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc(C#N)c(NCc2sccc2C)n2cnnc12
Show InChI InChI=1S/C22H22N6S/c1-15-8-9-29-20(15)12-24-21-18(11-23)10-19(22-26-25-14-28(21)22)17-6-4-16(5-7-17)13-27(2)3/h4-10,14,24H,12-13H2,1-3H3
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n/an/a 2.18E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL asses...


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM225230
PNG
(EED226 | US11013745, Compound 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>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG by binding assay


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM225230
PNG
(EED226 | US11013745, Compound 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>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG by QPatch assay


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))
BDBM50235993
PNG
(CHEMBL4085277)
Show SMILES Clc1c(C#N)c2CCN(Cc3ccccc3)Cc2c2nncn12
Show InChI InChI=1S/C17H14ClN5/c18-16-14(8-19)13-6-7-22(9-12-4-2-1-3-5-12)10-15(13)17-21-20-11-23(16)17/h1-5,11H,6-7,9-10H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of EED in human G401 cells assessed as reduction in global H3K27me3 level after 48 hrs by ELISA


J Med Chem 60: 2215-2226 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01576
BindingDB Entry DOI: 10.7270/Q20G3NDT
More data for this
Ligand-Target Pair