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PubMed code 27992714

Compile data set for download or QSAR
Found 27 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 protein EED


(Homo sapiens (Human))		BDBM50259907
PNG
(CHEMBL4101747)
Show SMILES CC(C)c1nc(N)n2CCCC(Cc3cccc4OCOc34)c12
Show InChI InChI=1S/C18H23N3O2/c1-11(2)15-16-12(6-4-8-21(16)18(19)20-15)9-13-5-3-7-14-17(13)23-10-22-14/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H2,19,20)
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n/an/a 430n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259894
PNG
(CHEMBL4066475)
Show SMILES Nc1ncc2CCC(Cc3cccc4OCOc34)Cn12
Show InChI InChI=1S/C15H17N3O2/c16-15-17-7-12-5-4-10(8-18(12)15)6-11-2-1-3-13-14(11)20-9-19-13/h1-3,7,10H,4-6,8-9H2,(H2,16,17)
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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 H3K27 methylation measured after 48 hrs by ELISA method

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259894
PNG
(CHEMBL4066475)
Show SMILES Nc1ncc2CCC(Cc3cccc4OCOc34)Cn12
Show InChI InChI=1S/C15H17N3O2/c16-15-17-7-12-5-4-10(8-18(12)15)6-11-2-1-3-13-14(11)20-9-19-13/h1-3,7,10H,4-6,8-9H2,(H2,16,17)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) using histone H3[21 to 44, K27MeO] as substrate and SAM as...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259899
PNG
(CHEMBL4088291)
Show SMILES COc1ccc(F)c(CC2CCc3c(nc(N)n3C2)C(C)C)c1
Show InChI InChI=1S/C18H24FN3O/c1-11(2)17-16-7-4-12(10-22(16)18(20)21-17)8-13-9-14(23-3)5-6-15(13)19/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H2,20,21)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259892
PNG
(CHEMBL4104157)
Show SMILES NC(=N)N1CCCC(Cc2cccc3OCOc23)C1
Show InChI InChI=1S/C14H19N3O2/c15-14(16)17-6-2-3-10(8-17)7-11-4-1-5-12-13(11)19-9-18-12/h1,4-5,10H,2-3,6-9H2,(H3,15,16)
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n/an/a 1.60E+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 H3K27 methylation measured after 48 hrs by ELISA method

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259907
PNG
(CHEMBL4101747)
Show SMILES CC(C)c1nc(N)n2CCCC(Cc3cccc4OCOc34)c12
Show InChI InChI=1S/C18H23N3O2/c1-11(2)15-16-12(6-4-8-21(16)18(19)20-15)9-13-5-3-7-14-17(13)23-10-22-14/h3,5,7,11-12H,4,6,8-10H2,1-2H3,(H2,19,20)
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n/an/a 2.00E+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 H3K27 methylation measured after 48 hrs by ELISA method

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259891
PNG
(CHEMBL4096427)
Show SMILES NC(=N)N1CCCC(Cc2cccc3occc23)C1
Show InChI InChI=1S/C15H19N3O/c16-15(17)18-7-2-3-11(10-18)9-12-4-1-5-14-13(12)6-8-19-14/h1,4-6,8,11H,2-3,7,9-10H2,(H3,16,17)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) using histone H3[21 to 44, K27MeO] as substrate and SAM as...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259891
PNG
(CHEMBL4096427)
Show SMILES NC(=N)N1CCCC(Cc2cccc3occc23)C1
Show InChI InChI=1S/C15H19N3O/c16-15(17)18-7-2-3-11(10-18)9-12-4-1-5-14-13(12)6-8-19-14/h1,4-6,8,11H,2-3,7,9-10H2,(H3,16,17)
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n/an/a 2.50E+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 H3K27 methylation measured after 48 hrs by ELISA method

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259910
PNG
(CHEMBL4097892)
Show SMILES [H][C@@]12C[C@H](Cc3cccc(OC)c3)CN(C)[C@@]1([H])Cc1cccc(OC)c1C2 |r|
Show InChI InChI=1S/C23H29NO2/c1-24-15-17(10-16-6-4-8-20(12-16)25-2)11-19-13-21-18(14-22(19)24)7-5-9-23(21)26-3/h4-9,12,17,19,22H,10-11,13-15H2,1-3H3/t17-,19-,22-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259890
PNG
(CHEMBL4078383)
Show SMILES NC(=N)N1CCCC(Cc2cccc3ccoc23)C1
Show InChI InChI=1S/C15H19N3O/c16-15(17)18-7-2-3-11(10-18)9-13-5-1-4-12-6-8-19-14(12)13/h1,4-6,8,11H,2-3,7,9-10H2,(H3,16,17)
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n/an/a 2.50E+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 H3K27 methylation measured after 48 hrs by ELISA method

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259893
PNG
(CHEMBL4075055)
Show SMILES Nc1ncc2CCC(Cc3cccc4occc34)Cn12
Show InChI InChI=1S/C16H17N3O/c17-16-18-9-13-5-4-11(10-19(13)16)8-12-2-1-3-15-14(12)6-7-20-15/h1-3,6-7,9,11H,4-5,8,10H2,(H2,17,18)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259890
PNG
(CHEMBL4078383)
Show SMILES NC(=N)N1CCCC(Cc2cccc3ccoc23)C1
Show InChI InChI=1S/C15H19N3O/c16-15(17)18-7-2-3-11(10-18)9-13-5-1-4-12-6-8-19-14(12)13/h1,4-6,8,11H,2-3,7,9-10H2,(H3,16,17)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259899
PNG
(CHEMBL4088291)
Show SMILES COc1ccc(F)c(CC2CCc3c(nc(N)n3C2)C(C)C)c1
Show InChI InChI=1S/C18H24FN3O/c1-11(2)17-16-7-4-12(10-22(16)18(20)21-17)8-13-9-14(23-3)5-6-15(13)19/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H2,20,21)
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n/an/a 2.90E+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 H3K27 methylation measured after 48 hrs by ELISA method

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259892
PNG
(CHEMBL4104157)
Show SMILES NC(=N)N1CCCC(Cc2cccc3OCOc23)C1
Show InChI InChI=1S/C14H19N3O2/c15-14(16)17-6-2-3-10(8-17)7-11-4-1-5-12-13(11)19-9-18-12/h1,4-5,10H,2-3,6-9H2,(H3,15,16)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) using histone H3[21 to 44, K27MeO] as substrate and SAM as...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259908
PNG
(CHEMBL4075073)
Show SMILES CC(C)c1nc(N)n2CC(Cc3ccccc3F)CCc12
Show InChI InChI=1S/C17H22FN3/c1-11(2)16-15-8-7-12(10-21(15)17(19)20-16)9-13-5-3-4-6-14(13)18/h3-6,11-12H,7-10H2,1-2H3,(H2,19,20)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259893
PNG
(CHEMBL4075055)
Show SMILES Nc1ncc2CCC(Cc3cccc4occc34)Cn12
Show InChI InChI=1S/C16H17N3O/c17-16-18-9-13-5-4-11(10-19(13)16)8-12-2-1-3-15-14(12)6-7-20-15/h1-3,6-7,9,11H,4-5,8,10H2,(H2,17,18)
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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 EED in human G401 cells assessed as reduction in H3K27 methylation measured after 48 hrs by ELISA method

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259906
PNG
(CHEMBL4067482)
Show SMILES C(C1CCCNC1)c1cccc2OCOc12
Show InChI InChI=1S/C13H17NO2/c1-4-11(7-10-3-2-6-14-8-10)13-12(5-1)15-9-16-13/h1,4-5,10,14H,2-3,6-9H2
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n/an/a 3.50E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259905
PNG
(CHEMBL4075386)
Show SMILES C(C1CCCNC1)c1cccc2occc12
Show InChI InChI=1S/C14H17NO/c1-4-12(9-11-3-2-7-15-10-11)13-6-8-16-14(13)5-1/h1,4-6,8,11,15H,2-3,7,9-10H2
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n/an/a 4.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259912
PNG
(CHEMBL4088724)
Show SMILES COc1cccc(CC2CCCN(C2)C(N)=N)c1
Show InChI InChI=1S/C14H21N3O/c1-18-13-6-2-4-11(9-13)8-12-5-3-7-17(10-12)14(15)16/h2,4,6,9,12H,3,5,7-8,10H2,1H3,(H3,15,16)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259904
PNG
(CHEMBL4082435)
Show SMILES C(C1CCCNC1)c1cccc2ccoc12
Show InChI InChI=1S/C14H17NO/c1-4-12-6-8-16-14(12)13(5-1)9-11-3-2-7-15-10-11/h1,4-6,8,11,15H,2-3,7,9-10H2
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n/an/a 9.50E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259900
PNG
(CHEMBL4101947)
Show SMILES COc1cccc(CC2CCCNC2)c1
Show InChI InChI=1S/C13H19NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3
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n/an/a 9.50E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259911
PNG
(CHEMBL4063710)
Show SMILES COc1cc(CC2CCCNC2)ccc1F
Show InChI InChI=1S/C13H18FNO/c1-16-13-8-10(4-5-12(13)14)7-11-3-2-6-15-9-11/h4-5,8,11,15H,2-3,6-7,9H2,1H3
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n/an/a 1.19E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259902
PNG
(CHEMBL4087849)
Show SMILES COc1ccccc1CC1CCCNC1
Show InChI InChI=1S/C13H19NO/c1-15-13-7-3-2-6-12(13)9-11-5-4-8-14-10-11/h2-3,6-7,11,14H,4-5,8-10H2,1H3
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n/an/a 1.46E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259909
PNG
(CHEMBL4086249)
Show SMILES NC(=O)N1CCCC(Cc2cccc3ccoc23)C1
Show InChI InChI=1S/C15H18N2O2/c16-15(18)17-7-2-3-11(10-17)9-13-5-1-4-12-6-8-19-14(12)13/h1,4-6,8,11H,2-3,7,9-10H2,(H2,16,18)
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n/an/a 1.74E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259903
PNG
(CHEMBL4077141)
Show SMILES COc1ccc(CC2CCCNC2)cc1
Show InChI InChI=1S/C13H19NO/c1-15-13-6-4-11(5-7-13)9-12-3-2-8-14-10-12/h4-7,12,14H,2-3,8-10H2,1H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259901
PNG
(CHEMBL1618229)
Show SMILES C(C1CCCNC1)c1ccccc1
Show InChI InChI=1S/C12H17N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-3,5-6,12-13H,4,7-10H2
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n/an/a>5.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair
Polycomb protein EED


(Homo sapiens (Human))		BDBM50259900
PNG
(CHEMBL4101947)
Show SMILES COc1cccc(CC2CCCNC2)c1
Show InChI InChI=1S/C13H19NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3
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n/an/an/a 3.20E+4n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho...

J Med Chem 60: 415-427 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%