Compile Data Set for Download or QSAR

Found 2677 hits of ic50 for UniProtKB: Q15022   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH1/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM50287072 (CHEMBL4159112 | US10759787, Example 12 | US1105981...) Show SMILES CCN(C1CCOCC1)c1cc2oc(CN3CCN(C)CC3)cc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1CC Show InChI InChI=1S/C32H45N5O5/c1-6-24-27(37(7-2)22-8-14-41-15-9-22)18-29-25(17-23(42-29)20-36-12-10-35(4)11-13-36)30(24)32(39)33-19-26-28(40-5)16-21(3)34-31(26)38/h16-18,22H,6-15,19-20H2,1-5H3,(H,33,39)(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged EZH2/flag-tagged EED/SUZ12/AEBP2/RBAP48 A677G mutant (2 to end residues) expressed in baculovirus infected ...				ACS Med Chem Lett 9: 98-102 (2018) Article DOI: 10.1021/acsmedchemlett.7b00437 BindingDB Entry DOI: 10.7270/Q2ZS3028
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451065 (US10676479, Example 95 | ethyl 5-(((5-fluoro-2,3-d...) Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3C)c12 Show InChI InChI=1S/C24H22FN5O3/c1-3-32-23(31)21-22-18(15-5-4-9-26-14(15)2)12-28-24(30(22)13-29-21)27-11-17-16-8-10-33-20(16)7-6-19(17)25/h4-7,9,12-13H,3,8,10-11H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451038 (8-(4-((dimethylamino)methyl)phenyl)-N-(2-fluoro- |...) Show SMILES COc1cccc(F)c1CNc1ncc(-c2ccc(CN(C)C)cc2)c2cncn12 Show InChI InChI=1S/C23H24FN5O/c1-28(2)14-16-7-9-17(10-8-16)18-11-26-23(29-15-25-13-21(18)29)27-12-19-20(24)5-4-6-22(19)30-3/h4-11,13,15H,12,14H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH1/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM50287050 (CHEMBL4161265) Show SMILES CCN(C1CCOCC1)c1cc2oc(Cl)cc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C25H30ClN3O5/c1-5-29(16-6-8-33-9-7-16)19-12-21-17(11-22(26)34-21)23(15(19)3)25(31)27-13-18-20(32-4)10-14(2)28-24(18)30/h10-12,16H,5-9,13H2,1-4H3,(H,27,31)(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged EZH2/flag-tagged EED/SUZ12/AEBP2/RBAP48 A677G mutant (2 to end residues) expressed in baculovirus infected ...				ACS Med Chem Lett 9: 98-102 (2018) Article DOI: 10.1021/acsmedchemlett.7b00437 BindingDB Entry DOI: 10.7270/Q2ZS3028
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH1/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM50287052 (CHEMBL4165937) Show SMILES CCN(C1CCOCC1)c1cc2oc(cc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C1CC1 Show InChI InChI=1S/C28H35N3O5/c1-5-31(19-8-10-35-11-9-19)22-14-25-20(13-23(36-25)18-6-7-18)26(17(22)3)28(33)29-15-21-24(34-4)12-16(2)30-27(21)32/h12-14,18-19H,5-11,15H2,1-4H3,(H,29,33)(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged EZH2/flag-tagged EED/SUZ12/AEBP2/RBAP48 A677G mutant (2 to end residues) expressed in baculovirus infected ...				ACS Med Chem Lett 9: 98-102 (2018) Article DOI: 10.1021/acsmedchemlett.7b00437 BindingDB Entry DOI: 10.7270/Q2ZS3028
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451070 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...) Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(cc3)S(C)(=O)=O)c12 Show InChI InChI=1S/C23H21FN4O5S2/c1-34(29,30)15-5-3-14(4-6-15)17-11-25-23(28-13-27-22(21(17)28)35(2,31)32)26-12-18-16-9-10-33-20(16)8-7-19(18)24/h3-8,11,13H,9-10,12H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH1/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM50287284 (CHEMBL4160111) Show SMILES CCN(C1CCOCC1)c1cc2occc2c(C(=O)NCc2c(CC)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C26H33N3O4/c1-5-18-13-16(3)28-25(30)21(18)15-27-26(31)24-17(4)22(14-23-20(24)9-12-33-23)29(6-2)19-7-10-32-11-8-19/h9,12-14,19H,5-8,10-11,15H2,1-4H3,(H,27,31)(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged EZH2/flag-tagged EED/SUZ12/AEBP2/RBAP48 A677G mutant (2 to end residues) expressed in baculovirus infected ...				ACS Med Chem Lett 9: 98-102 (2018) Article DOI: 10.1021/acsmedchemlett.7b00437 BindingDB Entry DOI: 10.7270/Q2ZS3028
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451062 (US10676479, Example 92 | ethyl 5-(((5-fluoro-2,3-d...) Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3ccc(cc3)S(C)(=O)=O)c12 Show InChI InChI=1S/C25H23FN4O5S/c1-3-34-24(31)22-23-18(15-4-6-16(7-5-15)36(2,32)33)12-27-25(30(23)14-29-22)28-13-19-17-10-11-35-21(17)9-8-20(19)26/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH1/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM50287068 (CHEMBL4172576 | US10759787, Example 30 | US1105981...) Show SMILES CCN(C1CCOCC1)c1cc2oc(cc2c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)C#N Show InChI InChI=1S/C26H30N4O5/c1-5-30(17-6-8-34-9-7-17)21-12-23-19(11-18(13-27)35-23)24(16(21)3)26(32)28-14-20-22(33-4)10-15(2)29-25(20)31/h10-12,17H,5-9,14H2,1-4H3,(H,28,32)(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged EZH2/flag-tagged EED/SUZ12/AEBP2/RBAP48 A677G mutant (2 to end residues) expressed in baculovirus infected ...				ACS Med Chem Lett 9: 98-102 (2018) Article DOI: 10.1021/acsmedchemlett.7b00437 BindingDB Entry DOI: 10.7270/Q2ZS3028
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291686 (8-(1,3-Dimethyl-1H-pyrazol-5-yl)-N-((5-fluoro-2,3-...) Show SMILES Cc1cc(-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)n(C)n1 Show InChI InChI=1S/C19H18FN7O/c1-11-7-16(26(2)25-11)14-9-22-19(27-10-23-24-18(14)27)21-8-13-12-5-6-28-17(12)4-3-15(13)20/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291695 (3-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl...) Show SMILES [O-][N]1=CC(=CC=C1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |c:3,5,t:1| Show InChI InChI=1S/C19H15FN6O2/c20-16-3-4-17-13(5-7-28-17)15(16)9-22-19-21-8-14(18-24-23-11-26(18)19)12-2-1-6-25(27)10-12/h1-4,6,8,10-11H,5,7,9H2,(H-,21,22,27)/q-1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291815 ((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...) Show SMILES Cc1cc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C(=O)N1CCCC1 Show InChI InChI=1S/C25H24FN7O2/c1-15-10-21(24(34)32-7-2-3-8-32)27-11-17(15)19-13-29-25(33-14-30-31-23(19)33)28-12-18-16-6-9-35-22(16)5-4-20(18)26/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291908 (8-(6-((dimethylamino)methyl)-2-methylpyridin-3-yl)...) Show SMILES CN(C)Cc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C23H24FN7O/c1-14-16(5-4-15(28-14)12-30(2)3)19-11-26-23(31-13-27-29-22(19)31)25-10-18-17-8-9-32-21(17)7-6-20(18)24/h4-7,11,13H,8-10,12H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291925 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-n2ccnc2)c2nncn12 Show InChI InChI=1S/C17H14FN7O/c18-13-1-2-15-11(3-6-26-15)12(13)7-20-17-21-8-14(24-5-4-19-9-24)16-23-22-10-25(16)17/h1-2,4-5,8-10H,3,6-7H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291909 (8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...) Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C22H21FN6O/c1-3-14-8-13(2)16(9-24-14)18-11-26-22(29-12-27-28-21(18)29)25-10-17-15-6-7-30-20(15)5-4-19(17)23/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291824 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O Show InChI InChI=1S/C21H19FN6O3S/c1-12-13(3-6-19(26-12)32(2,29)30)16-10-24-21(28-11-25-27-20(16)28)23-9-15-14-7-8-31-18(14)5-4-17(15)22/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291824 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES Cc1nc(ccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O Show InChI InChI=1S/C21H19FN6O3S/c1-12-13(3-6-19(26-12)32(2,29)30)16-10-24-21(28-11-25-27-20(16)28)23-9-15-14-7-8-31-18(14)5-4-17(15)22/h3-6,10-11H,7-9H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED [40-441]/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM498166 (US11013745, Compound SL-E14) Show SMILES CS(=O)(=O)N1CCC=C(CC1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |c:7| Show InChI InChI=1S/C21H23FN6O3S/c1-32(29,30)27-8-2-3-14(6-9-27)16-11-23-21(28-13-25-26-20(16)28)24-12-17-15-7-10-31-19(15)5-4-18(17)22/h3-5,11,13H,2,6-10,12H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU SUPLEAD LIFE SCIENCES CO., LTD. US Patent					Assay Description The TR-FRET method was used to measure the PRC2 enzyme activity. First, the enzyme was mixed with compounds at different concentrations and incubated...				US Patent US11013745 (2021) BindingDB Entry DOI: 10.7270/Q2GX4FP4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291823 (8-(4-chloro-6-methoxypyridin-3-yl)-N-((5-fluoro-2,...) Show SMILES COc1cc(Cl)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H16ClFN6O2/c1-29-18-6-15(21)12(7-23-18)14-9-25-20(28-10-26-27-19(14)28)24-8-13-11-4-5-30-17(11)3-2-16(13)22/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291909 (8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...) Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C22H21FN6O/c1-3-14-8-13(2)16(9-24-14)18-11-26-22(29-12-27-28-21(18)29)25-10-17-15-6-7-30-20(15)5-4-19(17)23/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291814 ((5-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methy...) Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)C(=O)N2CCCC2)c2nncn12 Show InChI InChI=1S/C24H22FN7O2/c25-19-4-6-21-16(7-10-34-21)18(19)13-28-24-27-12-17(22-30-29-14-32(22)24)15-3-5-20(26-11-15)23(33)31-8-1-2-9-31/h3-6,11-12,14H,1-2,7-10,13H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291918 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C18H16FN7O/c1-11-8-25(9-22-11)15-7-21-18(26-10-23-24-17(15)26)20-6-13-12-4-5-27-16(12)3-2-14(13)19/h2-3,7-10H,4-6H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM450978 (1-Chloro-8-(2,4-dimethylpyrimidin-5-yl)-N-((5-fluo...) Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(c12)S(C)(=O)=O Show InChI InChI=1S/C22H20FN5O3S/c1-13-14(4-3-8-24-13)17-11-26-22(28-12-27-21(20(17)28)32(2,29)30)25-10-16-15-7-9-31-19(15)6-5-18(16)23/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451065 (US10676479, Example 95 | ethyl 5-(((5-fluoro-2,3-d...) Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3C)c12 Show InChI InChI=1S/C24H22FN5O3/c1-3-32-23(31)21-22-18(15-5-4-9-26-14(15)2)12-28-24(30(22)13-29-21)27-11-17-16-8-10-33-20(16)7-6-19(17)25/h4-7,9,12-13H,3,8,10-11H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291853 (8-(2-(difluoromethyl)pyridin-3-yl)-N-((5-fluoro-2,...) Show SMILES FC(F)c1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H15F3N6O/c21-15-3-4-16-11(5-7-30-16)13(15)8-25-20-26-9-14(19-28-27-10-29(19)20)12-2-1-6-24-17(12)18(22)23/h1-4,6,9-10,18H,5,7-8H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291689 (N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES CC(C)n1cc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C21H22FN7O/c1-12(2)29-10-17(13(3)27-29)16-9-24-21(28-11-25-26-20(16)28)23-8-15-14-6-7-30-19(14)5-4-18(15)22/h4-5,9-12H,6-8H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451074 (8-(2,4-dimethylpyrimidin-5-yl)-1-(ethylsulfonyl)- ...) Show SMILES CCS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cnc(C)nc3C)c12 Show InChI InChI=1S/C23H23FN6O3S/c1-4-34(31,32)22-21-18(16-9-25-14(3)29-13(16)2)11-27-23(30(21)12-28-22)26-10-17-15-7-8-33-20(15)6-5-19(17)24/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2 [Y641F]/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM490331 (US10968215, Compound 153) Show SMILES COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(ccn2c(C(C)N2CCOCC2)c1C)-c1ccn[nH]1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.15	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI HAIHE PHARMACEUTICAL CO., LTD.; SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent					Assay Description EZH2Y641F: PRC2 complex experimental method: Experimental method: PRC2 complex (EZH2 Y641F/EED/SUZ12/RbAp48/AEBP2), H3(1-50) me1 substrate, methyl do...				US Patent US10968215 (2021) BindingDB Entry DOI: 10.7270/Q21C210W
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED [40-441]/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM498165 (US11013745, Compound SL-ZYE-183) Show SMILES COC(=O)N1CCC=C(CC1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |c:7| Show InChI InChI=1S/C22H23FN6O3/c1-31-22(30)28-8-2-3-14(6-9-28)16-11-24-21(29-13-26-27-20(16)29)25-12-17-15-7-10-32-19(15)5-4-18(17)23/h3-5,11,13H,2,6-10,12H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU SUPLEAD LIFE SCIENCES CO., LTD. US Patent					Assay Description The TR-FRET method was used to measure the PRC2 enzyme activity. First, the enzyme was mixed with compounds at different concentrations and incubated...				US Patent US11013745 (2021) BindingDB Entry DOI: 10.7270/Q2GX4FP4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291882 (8-(6-(difluoromethoxy)-4-methylpyridin-3-yl)-N-((5...) Show SMILES Cc1cc(OC(F)F)ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C21H17F3N6O2/c1-11-6-18(32-20(23)24)25-7-13(11)15-9-27-21(30-10-28-29-19(15)30)26-8-14-12-4-5-31-17(12)3-2-16(14)22/h2-3,6-7,9-10,20H,4-5,8H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291909 (8-(6-ethyl-4-methylpyridin-3-yl)-N-((5-fluoro-2,3-...) Show SMILES CCc1cc(C)c(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C22H21FN6O/c1-3-14-8-13(2)16(9-24-14)18-11-26-22(29-12-27-28-21(18)29)25-10-17-15-6-7-30-20(15)5-4-19(17)23/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451053 (8-(2-(3,5-dimethylpiperazin-1-yl)-4- | US10676479,...) Show SMILES CC1CN(CC(C)N1)c1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C27H28FN9O/c1-15-12-36(13-16(2)34-15)27-32-9-19(17(3)35-27)21-11-31-26(37-14-33-23(8-29)25(21)37)30-10-20-18-6-7-38-24(18)5-4-22(20)28/h4-5,9,11,14-16,34H,6-7,10,12-13H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/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 ...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291873 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES CC(C)n1ncc(c1C)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C21H22FN7O/c1-12(2)29-13(3)15(10-26-29)17-9-24-21(28-11-25-27-20(17)28)23-8-16-14-6-7-30-19(14)5-4-18(16)22/h4-5,9-12H,6-8H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM450981 (8-(2-(Difluoromethyl)pyridin-3-yl)-N-((5-fluoro-2,...) Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3C(F)F)c12 Show InChI InChI=1S/C22H18F3N5O3S/c1-34(31,32)21-19-15(13-3-2-7-26-18(13)20(24)25)10-28-22(30(19)11-29-21)27-9-14-12-6-8-33-17(12)5-4-16(14)23/h2-5,7,10-11,20H,6,8-9H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291880 (8-(1,3-dimethyl-1H-pyrazol-4-yl)-N-((5-fluoro-2,3-...) Show SMILES Cc1nn(C)cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C19H18FN7O/c1-11-15(9-26(2)25-11)14-8-22-19(27-10-23-24-18(14)27)21-7-13-12-5-6-28-17(12)4-3-16(13)20/h3-4,8-10H,5-7H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291879 (8-(2,5-dimethylpyridin-4-yl)-N-((5-fluoro-2,3-dihy...) Show SMILES Cc1cc(c(C)cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C21H19FN6O/c1-12-8-23-13(2)7-15(12)17-10-25-21(28-11-26-27-20(17)28)24-9-16-14-5-6-29-19(14)4-3-18(16)22/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291830 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES COc1cc(ccn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H17FN6O2/c1-28-18-8-12(4-6-22-18)14-9-23-20(27-11-25-26-19(14)27)24-10-15-13-5-7-29-17(13)3-2-16(15)21/h2-4,6,8-9,11H,5,7,10H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451054 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES Cc1nc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12)N1CCOCC1 Show InChI InChI=1S/C25H23FN8O2/c1-15-17(11-30-25(32-15)33-5-8-35-9-6-33)19-13-29-24(34-14-31-21(10-27)23(19)34)28-12-18-16-4-7-36-22(16)3-2-20(18)26/h2-3,11,13-14H,4-9,12H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/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 ...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291827 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES COc1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H17FN6O2/c1-28-18-5-2-12(8-22-18)14-9-23-20(27-11-25-26-19(14)27)24-10-15-13-6-7-29-17(13)4-3-16(15)21/h2-5,8-9,11H,6-7,10H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451072 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...) Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3)c12 Show InChI InChI=1S/C21H18FN5O3S/c1-31(28,29)20-19-15(13-3-2-7-23-9-13)10-24-21(27(19)12-26-20)25-11-16-14-6-8-30-18(14)5-4-17(16)22/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451056 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)N2CCNCC2)c2c(ncn12)C#N Show InChI InChI=1S/C25H23FN8O/c26-20-2-3-22-17(5-10-35-22)19(20)14-31-25-30-13-18(24-21(11-27)32-15-34(24)25)16-1-4-23(29-12-16)33-8-6-28-7-9-33/h1-4,12-13,15,28H,5-10,14H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED [40-441]/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM498157 (US11013745, Compound SL-ZYE-147) Show SMILES COC(=O)N1CCC(=CC1)c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 |c:7| Show InChI InChI=1S/C21H21FN6O3/c1-30-21(29)27-7-4-13(5-8-27)15-10-23-20(28-12-25-26-19(15)28)24-11-16-14-6-9-31-18(14)3-2-17(16)22/h2-4,10,12H,5-9,11H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU SUPLEAD LIFE SCIENCES CO., LTD. US Patent					Assay Description The TR-FRET method was used to measure the PRC2 enzyme activity. First, the enzyme was mixed with compounds at different concentrations and incubated...				US Patent US11013745 (2021) BindingDB Entry DOI: 10.7270/Q2GX4FP4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291875 (2-(4-(5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)met...) Show SMILES Cc1nn(CCO)cc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H20FN7O2/c1-12-16(10-27(26-12)5-6-29)15-9-23-20(28-11-24-25-19(15)28)22-8-14-13-4-7-30-18(13)3-2-17(14)21/h2-3,9-11,29H,4-8H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291867 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES Cc1c(CF)nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C21H18F2N6O/c1-12-13(4-6-24-18(12)8-22)16-10-26-21(29-11-27-28-20(16)29)25-9-15-14-5-7-30-19(14)3-2-17(15)23/h2-4,6,10-11H,5,7-9H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291812 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES Cc1cc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)S(C)(=O)=O Show InChI InChI=1S/C21H19FN6O3S/c1-12-7-19(32(2,29)30)23-8-14(12)16-10-25-21(28-11-26-27-20(16)28)24-9-15-13-5-6-31-18(13)4-3-17(15)22/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291687 (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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451088 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(-c3ncco3)c12 Show InChI InChI=1S/C25H20FN5O4S/c1-36(32,33)16-4-2-15(3-5-16)18-12-28-25(31-14-30-22(23(18)31)24-27-9-11-35-24)29-13-19-17-8-10-34-21(17)7-6-20(19)26/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291866 (8-(2-(difluoromethyl)-3-methylpyridin-4-yl)-N-((5-...) Show SMILES Cc1c(ccnc1C(F)F)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C21H17F3N6O/c1-11-12(4-6-25-18(11)19(23)24)15-9-27-21(30-10-28-29-20(15)30)26-8-14-13-5-7-31-17(13)3-2-16(14)22/h2-4,6,9-10,19H,5,7-8H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	8.0	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2 [Y641F]/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM490276 (US10968215, Compound 152) Show SMILES COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(ccn2c(C(C)N2CCOCC2)c1C)-c1cn[nH]c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.65	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI HAIHE PHARMACEUTICAL CO., LTD.; SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent					Assay Description EZH2Y641F: PRC2 complex experimental method: Experimental method: PRC2 complex (EZH2 Y641F/EED/SUZ12/RbAp48/AEBP2), H3(1-50) me1 substrate, methyl do...				US Patent US10968215 (2021) BindingDB Entry DOI: 10.7270/Q21C210W
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291914 (8-(6-ethyl-2-methylpyridin-3-yl)-N-((5-fluoro-2,3-...) Show SMILES CCc1ccc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C22H21FN6O/c1-3-14-4-5-15(13(2)27-14)18-11-25-22(29-12-26-28-21(18)29)24-10-17-16-8-9-30-20(16)7-6-19(17)23/h4-7,11-12H,3,8-10H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair

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