Compile Data Set for Download or QSAR

Found 855 hits with Last Name = 'brenneman' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541911 (CHEMBL4639983) Show SMILES [H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC1CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2cccnc12 |r,wU:4.7,1.0,wD:15.18,(20.04,-23.33,;19.28,-24.67,;18.51,-26.01,;19.28,-27.33,;20.82,-27.34,;21.58,-26,;20.82,-24.66,;21.59,-28.66,;21.19,-30.15,;22.68,-30.55,;23.07,-29.06,;23.44,-31.88,;22.68,-33.22,;21.35,-33.98,;22.68,-34.76,;18.5,-23.34,;19.27,-22,;16.97,-23.35,;15.94,-22.2,;16.27,-20.69,;14.53,-22.83,;13.21,-22.05,;13.21,-20.51,;11.87,-22.82,;10.54,-22.04,;9.2,-22.81,;9.2,-24.35,;10.53,-25.12,;10.53,-26.66,;7.87,-25.11,;6.54,-24.35,;5.21,-25.12,;6.54,-22.81,;7.87,-22.03,;7.87,-20.49,;14.7,-24.35,;13.67,-25.49,;14.14,-26.95,;15.64,-27.27,;16.67,-26.13,;16.2,-24.68,)| Show InChI InChI=1S/C31H41N5O3S/c1-18-14-27(40-4)26(30(37)34-18)15-33-31(38)28-20(3)36(29-25(28)6-5-13-32-29)19(2)21-7-9-22(10-8-21)35-16-24(17-35)39-23-11-12-23/h5-6,13-14,19,21-24H,7-12,15-17H2,1-4H3,(H,33,38)(H,34,37)/t19-,21-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0570	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541907 (CHEMBL4640994) Show SMILES [H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:4.7,1.0,wD:13.15,(41.43,-46.36,;40.68,-47.69,;39.9,-49.03,;40.67,-50.36,;42.21,-50.36,;42.98,-49.02,;42.21,-47.68,;42.98,-51.69,;42.58,-53.18,;44.07,-53.57,;44.47,-52.08,;44.84,-54.91,;44.07,-56.24,;39.9,-46.37,;40.66,-45.03,;38.36,-46.38,;37.33,-45.23,;37.66,-43.72,;35.92,-45.85,;34.59,-45.08,;34.6,-43.54,;33.26,-45.84,;31.92,-45.07,;30.59,-45.84,;30.59,-47.38,;31.92,-48.15,;31.92,-49.69,;29.25,-48.14,;27.92,-47.38,;26.59,-48.15,;27.92,-45.84,;29.25,-45.06,;29.25,-43.52,;36.09,-47.38,;35.06,-48.51,;35.52,-49.98,;37.03,-50.29,;38.06,-49.15,;37.59,-47.7,)| Show InChI InChI=1S/C30H40N4O3S/c1-18-14-27(38-5)25(29(35)32-18)15-31-30(36)28-20(3)34(26-9-7-6-8-24(26)28)19(2)21-10-12-22(13-11-21)33-16-23(17-33)37-4/h6-9,14,19,21-23H,10-13,15-17H2,1-5H3,(H,31,36)(H,32,35)/t19-,21-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0590	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541915 (CHEMBL4638754) Show SMILES [H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC1CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2cc(F)cnc12 |r,wU:4.7,1.0,wD:15.18,(19.9,-39.41,;19.14,-40.75,;18.37,-42.08,;19.14,-43.41,;20.68,-43.41,;21.45,-42.07,;20.68,-40.73,;21.45,-44.74,;21.05,-46.23,;22.54,-46.62,;22.93,-45.14,;23.3,-47.96,;22.54,-49.29,;21.21,-50.06,;22.54,-50.83,;18.36,-39.42,;19.13,-38.08,;16.83,-39.42,;15.8,-38.27,;16.13,-36.77,;14.39,-38.9,;13.07,-38.13,;13.07,-36.59,;11.73,-38.9,;10.4,-38.12,;9.06,-38.89,;9.06,-40.43,;10.39,-41.2,;10.39,-42.74,;7.73,-41.19,;6.4,-40.43,;5.07,-41.2,;6.4,-38.89,;7.73,-38.11,;7.73,-36.57,;14.56,-40.43,;13.53,-41.57,;14,-43.03,;12.97,-44.16,;15.5,-43.35,;16.53,-42.21,;16.06,-40.75,)| Show InChI InChI=1S/C31H40FN5O3S/c1-17-11-27(41-4)26(30(38)35-17)14-34-31(39)28-19(3)37(29-25(28)12-21(32)13-33-29)18(2)20-5-7-22(8-6-20)36-15-24(16-36)40-23-9-10-23/h11-13,18,20,22-24H,5-10,14-16H2,1-4H3,(H,34,39)(H,35,38)/t18-,20-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541912 (CHEMBL4637572) Show SMILES [H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC1CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2cccc(F)c12 |r,wU:4.7,1.0,wD:15.18,(42.35,-24.8,;41.6,-26.14,;40.82,-27.47,;41.6,-28.8,;43.14,-28.8,;43.9,-27.47,;43.13,-26.13,;43.9,-30.13,;43.51,-31.62,;45,-32.02,;45.39,-30.53,;45.76,-33.35,;45,-34.69,;43.67,-35.45,;45,-36.23,;40.82,-24.81,;41.59,-23.47,;39.29,-24.81,;38.26,-23.66,;38.59,-22.16,;36.85,-24.3,;35.52,-23.52,;35.53,-21.98,;34.19,-24.29,;32.85,-23.51,;31.52,-24.28,;31.52,-25.82,;32.85,-26.59,;32.85,-28.13,;30.19,-26.58,;28.86,-25.82,;27.52,-26.59,;28.86,-24.28,;30.19,-23.5,;30.19,-21.96,;37.02,-25.82,;35.99,-26.96,;36.45,-28.42,;37.96,-28.74,;38.98,-27.6,;39.74,-28.93,;38.52,-26.15,)| Show InChI InChI=1S/C32H41FN4O3S/c1-18-14-28(41-4)26(31(38)35-18)15-34-32(39)29-20(3)37(30-25(29)6-5-7-27(30)33)19(2)21-8-10-22(11-9-21)36-16-24(17-36)40-23-12-13-23/h5-7,14,19,21-24H,8-13,15-17H2,1-4H3,(H,34,39)(H,35,38)/t19-,21-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0630	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541902 (CHEMBL4635809 | US11459315, Example 11) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(C)(C)O)CC2)c2ccccc12 |r| Show InChI InChI=1S/C29H40N4O3S/c1-18-15-25(37-6)23(27(34)31-18)16-30-28(35)26-20(3)33(24-10-8-7-9-22(24)26)19(2)21-11-13-32(14-12-21)17-29(4,5)36/h7-10,15,19,21,36H,11-14,16-17H2,1-6H3,(H,30,35)(H,31,34)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0670	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541910 (CHEMBL4635863) Show SMILES [H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC1CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:4.7,1.0,wD:15.18,(67.36,-7.96,;66.6,-9.3,;65.83,-10.63,;66.6,-11.96,;68.14,-11.96,;68.9,-10.62,;68.14,-9.28,;68.91,-13.29,;68.51,-14.78,;70,-15.17,;70.39,-13.68,;70.76,-16.51,;70,-17.84,;68.67,-18.61,;70,-19.38,;65.82,-7.96,;66.59,-6.63,;64.29,-7.97,;63.26,-6.82,;63.59,-5.31,;61.85,-7.45,;60.53,-6.68,;60.53,-5.14,;59.19,-7.45,;57.86,-6.67,;56.52,-7.44,;56.52,-8.98,;57.85,-9.75,;57.85,-11.29,;55.19,-9.74,;53.86,-8.98,;52.52,-9.75,;53.86,-7.44,;55.19,-6.66,;55.19,-5.12,;62.02,-8.98,;60.99,-10.11,;61.45,-11.58,;62.96,-11.89,;63.99,-10.76,;63.52,-9.3,)| Show InChI InChI=1S/C32H42N4O3S/c1-19-15-29(40-4)27(31(37)34-19)16-33-32(38)30-21(3)36(28-8-6-5-7-26(28)30)20(2)22-9-11-23(12-10-22)35-17-25(18-35)39-24-13-14-24/h5-8,15,20,22-25H,9-14,16-18H2,1-4H3,(H,33,38)(H,34,37)/t20-,22-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0720	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541914 (CHEMBL4635102) Show SMILES [H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC1CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2cc(Cl)cnc12 |r,wU:4.7,1.0,wD:15.18,(83.23,-24.16,;82.48,-25.5,;81.7,-26.84,;82.48,-28.16,;84.02,-28.16,;84.78,-26.83,;84.01,-25.49,;84.78,-29.49,;84.39,-30.98,;85.88,-31.38,;86.27,-29.89,;86.64,-32.71,;85.88,-34.05,;84.54,-34.81,;85.88,-35.59,;81.7,-24.17,;82.47,-22.83,;80.17,-24.18,;79.14,-23.03,;79.47,-21.52,;77.73,-23.66,;76.4,-22.88,;76.41,-21.34,;75.07,-23.65,;73.73,-22.87,;72.4,-23.64,;72.4,-25.18,;73.73,-25.95,;73.73,-27.49,;71.07,-25.94,;69.74,-25.18,;68.4,-25.95,;69.74,-23.64,;71.07,-22.86,;71.07,-21.32,;77.9,-25.18,;76.87,-26.32,;77.33,-27.78,;76.31,-28.92,;78.84,-28.1,;79.87,-26.96,;79.4,-25.51,)| Show InChI InChI=1S/C31H40ClN5O3S/c1-17-11-27(41-4)26(30(38)35-17)14-34-31(39)28-19(3)37(29-25(28)12-21(32)13-33-29)18(2)20-5-7-22(8-6-20)36-15-24(16-36)40-23-9-10-23/h11-13,18,20,22-24H,5-10,14-16H2,1-4H3,(H,34,39)(H,35,38)/t18-,20-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0920	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541913 (CHEMBL4633923) Show SMILES [H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC1CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2cncnc12 |r,wU:4.7,1.0,wD:15.18,(62.3,-23.46,;61.54,-24.8,;60.77,-26.14,;61.54,-27.47,;63.08,-27.47,;63.85,-26.13,;63.08,-24.79,;63.85,-28.8,;63.45,-30.28,;64.94,-30.68,;65.34,-29.19,;65.71,-32.01,;64.94,-33.35,;63.61,-34.12,;64.94,-34.89,;60.77,-23.47,;61.53,-22.13,;59.23,-23.48,;58.2,-22.33,;58.53,-20.82,;56.79,-22.96,;55.47,-22.18,;55.47,-20.64,;54.13,-22.95,;52.8,-22.18,;51.46,-22.95,;51.46,-24.49,;52.8,-25.25,;52.79,-26.79,;50.13,-25.24,;48.8,-24.49,;47.47,-25.25,;48.8,-22.95,;50.13,-22.16,;50.13,-20.62,;56.96,-24.49,;55.93,-25.62,;56.4,-27.08,;57.9,-27.4,;58.93,-26.26,;58.46,-24.81,)| Show InChI InChI=1S/C30H40N6O3S/c1-17-11-26(40-4)24(29(37)34-17)13-32-30(38)27-19(3)36(28-25(27)12-31-16-33-28)18(2)20-5-7-21(8-6-20)35-14-23(15-35)39-22-9-10-22/h11-12,16,18,20-23H,5-10,13-15H2,1-4H3,(H,32,38)(H,34,37)/t18-,20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541909 (CHEMBL4639913) Show SMILES [H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC(F)F)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:4.7,1.0,wD:15.17,(46.23,-8.08,;45.48,-9.42,;44.7,-10.75,;45.48,-12.08,;47.02,-12.08,;47.78,-10.75,;47.01,-9.41,;47.78,-13.41,;47.39,-14.9,;48.88,-15.3,;49.27,-13.81,;49.64,-16.63,;48.88,-17.97,;47.34,-17.97,;49.64,-19.3,;44.7,-8.09,;45.47,-6.75,;43.17,-8.09,;42.14,-6.94,;42.47,-5.44,;40.73,-7.58,;39.4,-6.8,;39.41,-5.26,;38.07,-7.57,;36.74,-6.79,;35.4,-7.56,;35.4,-9.1,;36.73,-9.87,;36.73,-11.41,;34.07,-9.86,;32.74,-9.1,;31.4,-9.87,;32.74,-7.56,;34.07,-6.78,;34.07,-5.24,;40.9,-9.1,;39.87,-10.24,;40.33,-11.7,;41.84,-12.02,;42.87,-10.88,;42.4,-9.43,)| Show InChI InChI=1S/C30H38F2N4O3S/c1-17-13-26(40-4)24(28(37)34-17)14-33-29(38)27-19(3)36(25-8-6-5-7-23(25)27)18(2)20-9-11-21(12-10-20)35-15-22(16-35)39-30(31)32/h5-8,13,18,20-22,30H,9-12,14-16H2,1-4H3,(H,33,38)(H,34,37)/t18-,20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541903 (CHEMBL4633932 | US11459315, Example 133) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)C2COC2)c2ccccc12 |r| Show InChI InChI=1S/C28H36N4O3S/c1-17-13-25(36-4)23(27(33)30-17)14-29-28(34)26-19(3)32(24-8-6-5-7-22(24)26)18(2)20-9-11-31(12-10-20)21-15-35-16-21/h5-8,13,18,20-21H,9-12,14-16H2,1-4H3,(H,29,34)(H,30,33)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541905 (CHEMBL4634677) Show SMILES [H][C@@]1(CC[C@@H](CC1)NC1COC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:4.7,1.0,wD:12.14,(81.15,-34.89,;80.4,-36.23,;79.62,-37.56,;80.39,-38.88,;81.93,-38.89,;82.7,-37.56,;81.93,-36.22,;82.7,-40.21,;84.24,-40.21,;85.33,-41.3,;86.42,-40.2,;85.33,-39.12,;79.62,-34.9,;80.39,-33.56,;78.08,-34.9,;77.06,-33.75,;77.38,-32.25,;75.65,-34.39,;74.32,-33.61,;74.32,-32.07,;72.98,-34.38,;71.65,-33.6,;70.31,-34.37,;70.31,-35.91,;71.64,-36.68,;71.64,-38.22,;68.98,-36.67,;67.66,-35.91,;66.32,-36.68,;67.66,-34.37,;68.98,-33.59,;68.98,-32.05,;75.81,-35.91,;74.78,-37.04,;75.26,-38.5,;76.76,-38.82,;77.78,-37.69,;77.31,-36.24,)| Show InChI InChI=1S/C29H38N4O3S/c1-17-13-26(37-4)24(28(34)31-17)14-30-29(35)27-19(3)33(25-8-6-5-7-23(25)27)18(2)20-9-11-21(12-10-20)32-22-15-36-16-22/h5-8,13,18,20-22,32H,9-12,14-16H2,1-4H3,(H,30,35)(H,31,34)/t18-,20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541908 (CHEMBL4637958) Show SMILES [H][C@@]1(CC[C@@H](CC1)N1CC(C1)OC(F)(F)F)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:4.7,1.0,wD:16.18,(20.18,-7.04,;19.43,-8.38,;18.65,-9.71,;19.42,-11.04,;20.96,-11.04,;21.73,-9.7,;20.96,-8.36,;21.73,-12.37,;21.33,-13.86,;22.82,-14.25,;23.22,-12.76,;23.59,-15.59,;22.82,-16.92,;23.59,-18.26,;21.28,-16.92,;22.04,-18.25,;18.65,-7.04,;19.42,-5.71,;17.11,-7.05,;16.08,-5.9,;16.41,-4.39,;14.67,-6.53,;13.35,-5.75,;13.35,-4.21,;12.01,-6.53,;10.68,-5.75,;9.34,-6.52,;9.34,-8.06,;10.67,-8.83,;10.67,-10.37,;8.01,-8.82,;6.68,-8.06,;5.35,-8.83,;6.68,-6.52,;8.01,-5.74,;8.01,-4.2,;14.84,-8.06,;13.81,-9.19,;14.28,-10.66,;15.78,-10.97,;16.81,-9.84,;16.34,-8.38,)| Show InChI InChI=1S/C30H37F3N4O3S/c1-17-13-26(41-4)24(28(38)35-17)14-34-29(39)27-19(3)37(25-8-6-5-7-23(25)27)18(2)20-9-11-21(12-10-20)36-15-22(16-36)40-30(31,32)33/h5-8,13,18,20-22H,9-12,14-16H2,1-4H3,(H,34,39)(H,35,38)/t18-,20-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541906 (CHEMBL4649131) Show SMILES [H][C@@]1(OC[C@@H](CO1)N(C)C)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:4.7,1.0,wD:10.11,(18.83,-46.14,;18.07,-47.47,;17.3,-48.81,;18.07,-50.14,;19.61,-50.14,;20.38,-48.8,;19.61,-47.46,;20.38,-51.47,;19.61,-52.8,;21.92,-51.46,;17.3,-46.15,;18.06,-44.81,;15.77,-46.15,;14.73,-45,;15.06,-43.5,;13.32,-45.63,;11.99,-44.86,;12,-43.32,;10.65,-45.62,;9.33,-44.85,;7.99,-45.61,;7.99,-47.15,;9.32,-47.93,;9.32,-49.47,;6.66,-47.92,;5.33,-47.15,;3.99,-47.93,;5.33,-45.61,;6.66,-44.84,;6.66,-43.3,;13.49,-47.15,;12.46,-48.29,;12.93,-49.75,;14.44,-50.07,;15.46,-48.93,;14.99,-47.48,)| Show InChI InChI=1S/C26H34N4O4S/c1-15-11-22(35-6)20(24(31)28-15)12-27-25(32)23-16(2)30(21-10-8-7-9-19(21)23)17(3)26-33-13-18(14-34-26)29(4)5/h7-11,17-18,26H,12-14H2,1-6H3,(H,27,32)(H,28,31)/t17-,18-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541904 (CHEMBL4639569) Show SMILES [H][C@]1(CC[C@@H](CC1)N1CC(F)(F)C1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:4.7,wD:13.15,1.0,(60.93,-34.76,;60.18,-36.1,;59.4,-37.43,;60.17,-38.76,;61.71,-38.76,;62.48,-37.42,;61.71,-36.08,;62.48,-40.09,;62.08,-41.58,;63.57,-41.97,;64.34,-43.31,;62.47,-43.05,;63.97,-40.49,;59.4,-34.77,;60.17,-33.43,;57.87,-34.77,;56.84,-33.62,;57.16,-32.12,;55.43,-34.25,;54.1,-33.48,;54.11,-31.94,;52.76,-34.25,;51.43,-33.47,;50.09,-34.24,;50.09,-35.78,;51.43,-36.55,;51.43,-38.09,;48.76,-36.54,;47.43,-35.78,;46.1,-36.55,;47.43,-34.24,;48.76,-33.46,;48.76,-31.92,;55.6,-35.78,;54.56,-36.91,;55.03,-38.37,;56.54,-38.7,;57.56,-37.56,;57.1,-36.1,)| Show InChI InChI=1S/C29H36F2N4O2S/c1-17-13-25(38-4)23(27(36)33-17)14-32-28(37)26-19(3)35(24-8-6-5-7-22(24)26)18(2)20-9-11-21(12-10-20)34-15-29(30,31)16-34/h5-8,13,18,20-21H,9-12,14-16H2,1-4H3,(H,32,37)(H,33,36)/t18-,20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541895 (CHEMBL4639616 | US11459315, Example 12) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12 |r| Show InChI InChI=1S/C27H33F3N4O2S/c1-16-13-23(37-4)21(25(35)32-16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541918 (CHEMBL4641325) Show SMILES C[C@H](C1CCN(CC(F)(F)F)CC1)n1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2ccccc12 |r| Show InChI InChI=1S/C27H33F3N4O2/c1-16-13-17(2)32-25(35)22(16)14-31-26(36)24-19(4)34(23-8-6-5-7-21(23)24)18(3)20-9-11-33(12-10-20)15-27(28,29)30/h5-8,13,18,20H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541916 (CHEMBL4633053) Show SMILES C[C@H](C1CCN(CC(F)(F)F)CC1)n1c(C)c(C(=O)NCc2c(C)cc(Cl)[nH]c2=O)c2ccccc12 |r| Show InChI InChI=1S/C26H30ClF3N4O2/c1-15-12-22(27)32-24(35)20(15)13-31-25(36)23-17(3)34(21-7-5-4-6-19(21)23)16(2)18-8-10-33(11-9-18)14-26(28,29)30/h4-7,12,16,18H,8-11,13-14H2,1-3H3,(H,31,36)(H,32,35)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541917 (CHEMBL4644363) Show SMILES COc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1 |r| Show InChI InChI=1S/C27H33F3N4O3/c1-16-13-23(37-4)32-25(35)21(16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541919 (CHEMBL4632988) Show SMILES C[C@H](C1CCN(CC(F)(F)F)CC1)n1c(C)c(C(=O)NCc2c(Cl)cc(C)[nH]c2=O)c2ccccc12 |r| Show InChI InChI=1S/C26H30ClF3N4O2/c1-15-12-21(27)20(24(35)32-15)13-31-25(36)23-17(3)34(22-7-5-4-6-19(22)23)16(2)18-8-10-33(11-9-18)14-26(28,29)30/h4-7,12,16,18H,8-11,13-14H2,1-3H3,(H,31,36)(H,32,35)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541897 (CHEMBL4634390 | US11459315, Example 109) Show SMILES C[C@H](C1CCN(CC(F)(F)F)CC1)n1c(C)c(C(=O)NCc2c(SC3CCC3)cc(C)[nH]c2=O)c2ccccc12 |r| Show InChI InChI=1S/C30H37F3N4O2S/c1-18-15-26(40-22-7-6-8-22)24(28(38)35-18)16-34-29(39)27-20(3)37(25-10-5-4-9-23(25)27)19(2)21-11-13-36(14-12-21)17-30(31,32)33/h4-5,9-10,15,19,21-22H,6-8,11-14,16-17H2,1-3H3,(H,34,39)(H,35,38)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...				ACS Med Chem Lett 11: 1205-1212 (2020) Article DOI: 10.1021/acsmedchemlett.0c00045 BindingDB Entry DOI: 10.7270/Q2Z89GZT
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574915 (US11459315, Example 60 (isomer 2)) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)OC(F)F)c2ccccc12 |wU:18.19,wD:20.26,(-.53,5.89,;.97,6.21,;2.01,5.07,;3.51,5.39,;4.54,4.24,;6.05,4.56,;4.07,2.78,;2.56,2.46,;2.08,.99,;1.53,3.6,;.02,3.28,;-.45,1.82,;-1.96,1.5,;-2.99,2.64,;-2.44,.03,;-1.53,-1.21,;.01,-1.21,;-2.44,-2.46,;-1.96,-3.93,;-3.05,-5.01,;-.47,-4.32,;-.07,-5.81,;1.41,-6.21,;2.5,-5.12,;2.1,-3.63,;.62,-3.23,;3.99,-5.52,;5.08,-4.43,;4.68,-2.94,;6.57,-4.83,;-3.9,-1.98,;-5.23,-2.75,;-6.57,-1.98,;-6.57,-.44,;-5.23,.33,;-3.9,-.44,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574916 ((R)-1-(1-(4-(tert-butylamino)cyclohexyl)eth-yl)-2-...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)NC(C)(C)C)c2ccccc12 |wU:18.19,(.56,.58,;2.07,.9,;2.54,2.37,;4.05,2.69,;4.52,4.15,;6.03,4.47,;3.49,5.3,;1.99,4.98,;.96,6.12,;1.51,3.51,;.01,3.19,;-.47,1.73,;-1.98,1.41,;-3.01,2.55,;-2.45,-.06,;-1.55,-1.3,;-.01,-1.3,;-2.45,-2.55,;-1.98,-4.02,;-3.01,-5.16,;-.47,-4.34,;.56,-3.19,;2.07,-3.51,;2.54,-4.98,;1.51,-6.12,;.01,-5.8,;4.05,-5.3,;5.08,-4.15,;4.6,-2.69,;6.11,-3.01,;6.59,-4.47,;-3.92,-2.07,;-5.25,-2.84,;-6.59,-2.07,;-6.59,-.53,;-5.25,.24,;-3.92,-.53,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574917 (2-methyl-N-((6-methyl-4-(methylthio)-2-oxo-1,2-dih...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)NC2COC2)c2ncccc12 |wU:18.19,wD:20.26,(2.54,-2.14,;4.03,-2.54,;4.42,-4.02,;5.91,-4.42,;6.31,-5.91,;7.8,-6.31,;5.22,-7,;3.73,-6.6,;2.64,-7.69,;3.33,-5.11,;1.85,-4.71,;1.45,-3.23,;-.04,-2.83,;-1.13,-3.92,;-.51,-1.36,;.39,-.12,;1.93,-.12,;-.51,1.13,;-.04,2.59,;1.47,2.91,;-1.07,3.74,;-.59,5.2,;-1.62,6.35,;-3.13,6.03,;-3.61,4.56,;-2.58,3.42,;-4.16,7.17,;-5.67,6.85,;-6.96,7.69,;-7.8,6.4,;-6.51,5.56,;-1.98,.65,;-3.31,1.42,;-4.65,.65,;-4.65,-.89,;-3.31,-1.66,;-1.98,-.89,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574919 (6-methyl-N-((6-methyl-4-(methylthio)-2-oxo-1,2-dih...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)NC2COC2)c2ncncc12 |wU:18.19,(2.54,-2.14,;4.03,-2.54,;4.42,-4.02,;5.91,-4.42,;6.31,-5.91,;7.8,-6.31,;5.22,-7,;3.73,-6.6,;2.64,-7.69,;3.33,-5.11,;1.85,-4.71,;1.45,-3.23,;-.04,-2.83,;-1.13,-3.92,;-.51,-1.36,;.39,-.12,;1.93,-.12,;-.51,1.13,;-.04,2.59,;1.47,2.91,;-1.07,3.74,;-2.58,3.42,;-3.61,4.56,;-3.13,6.03,;-1.62,6.35,;-.59,5.2,;-4.16,7.17,;-5.67,6.85,;-6.96,7.69,;-7.8,6.4,;-6.51,5.56,;-1.98,.65,;-3.31,1.42,;-4.65,.65,;-4.65,-.89,;-3.31,-1.66,;-1.98,-.89,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574920 ((R)-1-(1-(1-(3-fluorocyclobutyl)piperidin-4-yl)eth...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)C2CC(F)C2)c2ccccc12 |wU:18.19,(.01,.82,;1.52,1.14,;1.99,2.6,;3.5,2.92,;3.97,4.38,;5.48,4.71,;2.94,5.53,;1.44,5.21,;.41,6.35,;.96,3.74,;-.54,3.42,;-1.02,1.96,;-2.53,1.64,;-3.56,2.78,;-3,.17,;-2.1,-1.07,;-.56,-1.07,;-3,-2.32,;-2.53,-3.78,;-3.56,-4.93,;-1.02,-4.1,;-.54,-5.57,;.96,-5.89,;1.99,-4.74,;1.52,-3.28,;.01,-2.96,;3.5,-5.06,;4.79,-4.22,;5.63,-5.51,;7.13,-5.84,;4.34,-6.35,;-4.47,-1.84,;-5.8,-2.61,;-7.13,-1.84,;-7.13,-.3,;-5.8,.47,;-4.47,-.3,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574921 (1-((R)-1-(1-(3-fluorocyclobutyl)piperidin-4-yl)eth...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)C2CC(F)C2)c2ccccc12 |wU:18.19,(-1.04,6.21,;.47,6.53,;1.5,5.39,;3,5.71,;4.03,4.56,;5.54,4.88,;3.56,3.1,;2.05,2.78,;1.58,1.31,;1.02,3.92,;-.48,3.6,;-.96,2.14,;-2.47,1.82,;-3.5,2.96,;-2.94,.35,;-2.04,-.89,;-.5,-.89,;-2.94,-2.14,;-2.47,-3.6,;-3.56,-4.69,;-.98,-4,;-.58,-5.49,;.91,-5.89,;2,-4.8,;1.6,-3.31,;.11,-2.91,;3.48,-5.2,;4.82,-4.43,;5.59,-5.76,;7.07,-6.16,;4.25,-6.53,;-4.41,-1.66,;-5.74,-2.43,;-7.07,-1.66,;-7.07,-.12,;-5.74,.65,;-4.41,-.12,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574922 (1-((R)-1-(4-(3-fluoroazetidin-1-yl)cyclohexyl)ethy...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC(F)C2)c2ncccc12 |wU:18.19,(1.96,-3.26,;3.45,-3.66,;3.85,-5.15,;5.34,-5.54,;5.74,-7.03,;7.22,-7.43,;4.65,-8.12,;3.16,-7.72,;2.07,-8.81,;2.76,-6.24,;1.27,-5.84,;.87,-4.35,;-.61,-3.95,;-1.7,-5.04,;-1.09,-2.49,;-.18,-1.24,;1.36,-1.24,;-1.09,.01,;-.61,1.47,;.89,1.79,;-1.64,2.62,;-3.15,2.3,;-4.18,3.44,;-3.7,4.9,;-2.2,5.22,;-1.17,4.08,;-4.74,6.05,;-6.27,6.13,;-6.19,7.67,;-7.22,8.81,;-4.65,7.59,;-2.55,-.47,;-3.89,.3,;-5.22,-.47,;-5.22,-2.01,;-3.89,-2.78,;-2.55,-2.01,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574923 ((R)-1-(1-(1-(3-fluorocyclobutyl)piperidin-4-yl)eth...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)C2CC(F)C2)c2ncccc12 |wU:18.19,(.73,-8.42,;2.23,-8.74,;3.27,-7.59,;4.77,-7.91,;5.8,-6.77,;7.31,-7.09,;5.33,-5.3,;3.82,-4.98,;3.34,-3.52,;2.79,-6.13,;1.28,-5.81,;.81,-4.34,;-.7,-4.02,;-1.73,-5.17,;-1.17,-2.56,;-.27,-1.31,;1.27,-1.31,;-1.17,-.07,;-.7,1.4,;.81,1.72,;-1.73,2.54,;-1.25,4.01,;-2.28,5.15,;-3.79,4.83,;-4.27,3.37,;-3.24,2.22,;-4.82,5.98,;-6.36,6.06,;-6.28,7.59,;-7.31,8.74,;-4.74,7.51,;-2.64,-.54,;-3.97,.23,;-5.31,-.54,;-5.31,-2.08,;-3.97,-2.85,;-2.64,-2.08,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574924 (1-((R)-1-(4-(2-methoxyethoxy)cyclohex-yl)ethyl)-2-...) Show SMILES COCCOC1CC[C@@H](CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |wU:11.12,8.7,(7.86,-4.14,;6.37,-3.74,;5.28,-4.83,;3.79,-4.43,;2.7,-5.52,;1.22,-5.12,;.82,-3.63,;-.67,-3.23,;-1.76,-4.32,;-1.36,-5.81,;.13,-6.21,;-3.25,-3.93,;-4.34,-5.01,;-3.72,-2.46,;-2.82,-1.21,;-1.28,-1.21,;-3.72,.03,;-3.25,1.5,;-4.28,2.64,;-1.74,1.82,;-1.27,3.28,;.24,3.6,;.72,5.07,;-.31,6.21,;-1.82,5.89,;2.22,5.39,;3.25,4.24,;4.76,4.56,;2.78,2.78,;1.27,2.46,;.8,.99,;-5.19,-.44,;-6.52,.33,;-7.86,-.44,;-7.86,-1.98,;-6.52,-2.75,;-5.19,-1.98,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574925 (1-((R)-1-(4-(2-methoxyethoxy)cyclohex-yl)ethyl)-2-...) Show SMILES COCCOC1CC[C@@H](CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |wU:11.12,wD:8.8,(7.86,-4.14,;6.37,-3.74,;5.28,-4.83,;3.79,-4.43,;2.7,-5.52,;1.22,-5.12,;.13,-6.21,;-1.36,-5.81,;-1.76,-4.32,;-.67,-3.23,;.82,-3.63,;-3.25,-3.93,;-4.34,-5.01,;-3.72,-2.46,;-2.82,-1.21,;-1.28,-1.21,;-3.72,.03,;-3.25,1.5,;-4.28,2.64,;-1.74,1.82,;-1.27,3.28,;.24,3.6,;.72,5.07,;-.31,6.21,;-1.82,5.89,;2.22,5.39,;3.25,4.24,;4.76,4.56,;2.78,2.78,;1.27,2.46,;.8,.99,;-5.19,-.44,;-6.52,.33,;-7.86,-.44,;-7.86,-1.98,;-6.52,-2.75,;-5.19,-1.98,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574926 (7-((R)-1-(4-(3-fluoroazetidin-1-yl)cyclohexyl)ethy...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC(F)C2)c2ncncc12 |wU:18.19,(1.96,-3.26,;3.45,-3.66,;3.85,-5.15,;5.34,-5.54,;5.74,-7.03,;7.22,-7.43,;4.65,-8.12,;3.16,-7.72,;2.07,-8.81,;2.76,-6.24,;1.27,-5.84,;.87,-4.35,;-.61,-3.95,;-1.7,-5.04,;-1.09,-2.49,;-.18,-1.24,;1.36,-1.24,;-1.09,.01,;-.61,1.47,;.89,1.79,;-1.64,2.62,;-3.15,2.3,;-4.18,3.44,;-3.7,4.9,;-2.2,5.22,;-1.17,4.08,;-4.74,6.05,;-6.27,6.13,;-6.19,7.67,;-7.22,8.81,;-4.65,7.59,;-2.55,-.47,;-3.89,.3,;-5.22,-.47,;-5.22,-2.01,;-3.89,-2.78,;-2.55,-2.01,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574927 ((R)-5-chloro-1-(1-(1-cyclopropylpiperidin-4-yl)eth...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)C2CC2)c2ncc(Cl)cc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574928 (1-((R)-1-((R)-1-cyclopropyl-3,3-difluoropiperidin-...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCN(CC2(F)F)C2CC2)c2ncccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574930 (2-methyl-1-((R)-1-((2S,4S)-1-methyl-2-(trifluorome...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCN(C)[C@@H](C2)C(F)(F)F)c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574931 (2-methyl-N-((6-methyl-4-(methylthio)-2-oxo-1,2-dih...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CCCC2=O)c2ccccc12 |wU:18.19,(-.49,6.26,;1.02,6.58,;2.05,5.44,;3.56,5.76,;4.59,4.61,;6.09,4.94,;4.11,3.15,;2.6,2.83,;2.13,1.37,;1.57,3.97,;.07,3.65,;-.41,2.19,;-1.92,1.87,;-2.95,3.01,;-2.39,.4,;-1.49,-.84,;.05,-.84,;-2.39,-2.09,;-1.92,-3.55,;-3,-4.64,;-.43,-3.95,;.66,-2.86,;2.15,-3.26,;2.55,-4.75,;1.46,-5.84,;-.03,-5.44,;4.03,-5.15,;4.59,-6.58,;6.12,-6.5,;6.52,-5.02,;5.23,-4.18,;5.23,-2.64,;-3.86,-1.61,;-5.19,-2.38,;-6.52,-1.61,;-6.52,-.07,;-5.19,.7,;-3.86,-.07,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574932 ((R)-6-methyl-N-((6-methyl-4-(methylthio)-2-oxo-1,2...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ncncc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574834 (US11459315, Example 2 (isomer 1)) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)NC2COC2)c2ccccc12 |r,wD:20.20,18.19,(-5.18,-1.99,;-5.18,-.44,;-6.61,.44,;-7.88,-.37,;-9.38,.35,;-10.73,-.37,;-9.38,1.81,;-7.99,2.59,;-7.99,4.15,;-6.62,2.01,;-5.18,2.63,;-3.8,1.81,;-2.45,2.59,;-2.45,4.15,;-.99,1.92,;.39,2.48,;.77,4.01,;1.52,1.32,;3.05,1.51,;3.72,2.89,;4.06,.31,;3.43,-1.11,;4.32,-2.27,;5.9,-2.13,;6.53,-.74,;5.63,.46,;6.46,-3.44,;8.44,-3.17,;9.45,-2.05,;10.73,-3.02,;9.75,-4.15,;.66,.05,;1.18,-1.38,;.17,-2.46,;-1.4,-2.16,;-1.85,-.7,;-.84,.35,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574837 (US11459315, Example 3 (isomer 2)) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N(C)C2(C)COC2)c2ccccc12 |r,wU:20.20,wD:18.19,(-5.1,-1.7,;-5.1,-.16,;-6.46,.64,;-7.7,-.09,;-9.17,.64,;-10.49,-.09,;-9.18,2.11,;-7.86,2.92,;-7.86,4.46,;-6.43,2.22,;-5.1,2.96,;-3.75,2.11,;-2.43,2.92,;-2.43,4.46,;-.99,2.22,;.36,2.81,;.73,4.35,;1.46,1.6,;3.01,1.82,;3.67,3.21,;3.96,.57,;5.5,.75,;6.38,-.46,;5.76,-1.85,;4.25,-2.04,;3.34,-.86,;6.71,-3.21,;6.09,-4.46,;8.29,-2.92,;8.29,-1.41,;9.28,-1.78,;10.49,-2.81,;9.54,-3.91,;.66,.35,;1.13,-1.16,;.14,-2.22,;-1.4,-1.93,;-1.84,-.46,;-.85,.61,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574838 (US11459315, Example 4 (isomer 1)) Show SMILES COC1CN(C1)C1CC[C@@H](CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wD:9.13,12.14,(10.41,-4.86,;8.88,-5.38,;7.95,-4.04,;6.45,-3.78,;6.68,-2.36,;8.21,-2.54,;5.71,-1.01,;4.21,-1.16,;3.32,.03,;3.92,1.45,;5.45,1.64,;6.34,.4,;2.95,2.72,;3.62,4.1,;1.45,2.49,;.37,3.69,;.74,5.26,;-.97,3.13,;-2.39,3.84,;-2.39,5.38,;-3.7,3.02,;-5.08,3.84,;-6.38,3.09,;-6.42,1.52,;-5.07,.7,;-5.07,-.84,;-7.65,.78,;-9.1,1.52,;-10.41,.78,;-9.11,3.02,;-7.8,3.84,;-7.8,5.38,;-.86,1.49,;-1.83,.44,;-1.38,-1.09,;.15,-1.35,;1.12,-.3,;.63,1.23,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574839 (US11459315, Example 4 (isomer 2)) Show SMILES COC1CN(C1)C1CC[C@@H](CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:9.13,wD:12.14,(10.41,-4.86,;8.88,-5.38,;7.95,-4.04,;6.45,-3.78,;6.68,-2.36,;8.21,-2.54,;5.71,-1.01,;6.34,.4,;5.45,1.64,;3.92,1.45,;3.32,.03,;4.21,-1.16,;2.95,2.72,;3.62,4.1,;1.45,2.49,;.37,3.69,;.74,5.26,;-.97,3.13,;-2.39,3.84,;-2.39,5.38,;-3.7,3.02,;-5.08,3.84,;-6.38,3.09,;-6.42,1.52,;-5.07,.7,;-5.07,-.84,;-7.65,.78,;-9.1,1.52,;-10.41,.78,;-9.11,3.02,;-7.8,3.84,;-7.8,5.38,;-.86,1.49,;-1.83,.44,;-1.38,-1.09,;.15,-1.35,;1.12,-.3,;.63,1.23,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574841 (US11459315, Example 5 (isomer 2)) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2OCC(CO2)NC(C)(C)C)c2ccccc12 |r,wU:20.26,wD:18.19,(-4.64,-1.85,;-4.64,-.31,;-6,.52,;-7.21,-.2,;-8.68,.52,;-9.96,-.2,;-8.69,2.02,;-7.36,2.8,;-7.36,4.34,;-5.97,2.12,;-4.68,2.84,;-3.36,2.02,;-2.04,2.8,;-2.04,4.34,;-.65,2.12,;.67,2.69,;1.03,4.27,;1.75,1.52,;3.28,1.73,;3.89,3.12,;4.18,.48,;5.71,.59,;6.61,-.59,;5.96,-2.02,;4.46,-2.16,;3.57,-.98,;6.89,-3.34,;8.43,-3.13,;9.43,-4.34,;8.89,-1.63,;9.96,-2.84,;.96,.19,;1.46,-1.27,;.46,-2.38,;-1.04,-2.06,;-1.5,-.63,;-.5,.52,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574842 (US11459315, Example 6 (isomer 1)) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2OCC(CO2)NC2(C)COC2)c2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574845 (US11459315, Example 7 (isomer 2)) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2OCC(CO2)N(C)C)c2ccccc12 |r,wU:20.26,wD:18.19,(-3.92,-1.65,;-3.92,-.11,;-5.25,.7,;-6.47,-.04,;-7.9,.7,;-9.19,-.04,;-7.91,2.21,;-6.62,2.98,;-6.62,4.52,;-5.22,2.25,;-3.93,3.02,;-2.6,2.21,;-1.28,3.02,;-1.28,4.56,;.12,2.28,;1.48,2.87,;1.78,4.46,;2.52,1.69,;3.99,1.91,;4.65,3.31,;4.95,.7,;6.46,.74,;7.22,-.5,;6.74,-1.91,;5.2,-1.99,;4.32,-.81,;7.66,-3.14,;7.06,-4.56,;9.19,-2.96,;1.71,.4,;2.18,-1.11,;1.23,-2.17,;-.28,-1.88,;-.73,-.37,;.23,.7,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574846 (US11459315, Example 8) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C23CC(C2)(C3)NC2COC2)c2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574847 (US11459315, Example 9) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C23CC(C2)(C3)N(C)C2COC2)c2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574848 (US11459315, Example 10) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C23CC(C2)(C3)N(C)CC(F)(F)F)c2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541902 (CHEMBL4635809 | US11459315, Example 11) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(C)(C)O)CC2)c2ccccc12 |r| Show InChI InChI=1S/C29H40N4O3S/c1-18-15-25(37-6)23(27(34)31-18)16-30-28(35)26-20(3)33(24-10-8-7-9-22(24)26)19(2)21-11-13-32(14-12-21)17-29(4,5)36/h7-10,15,19,21,36H,11-14,16-17H2,1-6H3,(H,30,35)(H,31,34)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50541895 (CHEMBL4639616 | US11459315, Example 12) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12 |r| Show InChI InChI=1S/C27H33F3N4O2S/c1-16-13-23(37-4)21(25(35)32-16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574851 (US11459315, Example 13) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574852 (US11459315, Example 14 (isomer 1)) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2COC2)c2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...				Citation and Details BindingDB Entry DOI: 10.7270/Q20Z76H4
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 855 total )  |  Next  |  Last  >>

Jump to: