Compile Data Set for Download or QSAR

Found 4388 hits with Last Name = 'levell' and Initial = 'jr'   

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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM424912 (2-(6-(((1R,2S)-2-((E)-1-phenylbut-1-en-2-yl)cyclop...) Show SMILES CC\C(=C/c1ccccc1)[C@@H]1C[C@H]1NC1CC2(C1)CN(CCO)C2 |r| Show InChI InChI=1S/C21H30N2O/c1-2-17(10-16-6-4-3-5-7-16)19-11-20(19)22-18-12-21(13-18)14-23(15-21)8-9-24/h3-7,10,18-20,22,24H,2,8-9,11-15H2,1H3/b17-10+/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Time dependant inhibition of recombinant N-terminal His-tagged LSD1 (unknown origin) expressed in Escherichia coli expression system assessed as inhi...				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50158869 (CHEMBL3786182 | US10836743, Compound GSK-2879552 |...) Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 |r| Show InChI InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Time dependant inhibition of recombinant N-terminal His-tagged LSD1 (unknown origin) expressed in Escherichia coli expression system assessed as inhi...				ACS Med Chem Lett 11: 1213-1220 (2020) Article DOI: 10.1021/acsmedchemlett.0c00060 BindingDB Entry DOI: 10.7270/Q22N55VZ
					More data for this Ligand-Target Pair
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))	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))	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))	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))	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))	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))	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))	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))	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 acetyltransferase p300 (Homo sapiens (Human))	BDBM50542055 (CHEMBL4636118 | US11274090, Example 22 Isomer 2) Show SMILES Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r| Show InChI InChI=1S/C26H24N6O/c1-32-18-23(17-30-32)22-11-12-24(29-16-22)31-26(33)25(21-5-3-2-4-6-21)28-14-13-19-7-9-20(15-27)10-8-19/h2-12,16-18,25,28H,13-14H2,1H3,(H,29,31,33)/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant full length EP300 (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by ...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50542060 (CHEMBL4641354 | US11274090, Example 33 Isomer 2) Show SMILES C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C27H26N6O/c1-19(21-10-8-20(14-28)9-11-21)15-30-26(22-6-4-3-5-7-22)27(34)32-25-13-12-23(16-29-25)24-17-31-33(2)18-24/h3-13,16-19,26,30H,15H2,1-2H3,(H,29,32,34)/t19-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to recombinant full length EP300 (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by ...				ACS Med Chem Lett 11: 1324-1329 (2020) Article DOI: 10.1021/acsmedchemlett.0c00155 BindingDB Entry DOI: 10.7270/Q2NV9NT5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM574992 (1-((R)-1-(4-((R)-3-(difluoromethoxy)pyrrolidin-1-y...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC[C@H](C2)OC(F)F)c2ncccc12 |wU:18.19,wD:29.33,(3.84,-3.02,;5.33,-3.42,;5.73,-4.9,;7.21,-5.3,;7.61,-6.79,;9.1,-7.19,;6.52,-7.88,;5.04,-7.48,;3.95,-8.57,;4.64,-5.99,;3.15,-5.59,;2.75,-4.11,;1.26,-3.71,;.17,-4.8,;.79,-2.24,;1.69,-1,;3.23,-1,;.79,.25,;1.26,1.71,;2.77,2.03,;.23,2.86,;-1.27,2.54,;-2.3,3.68,;-1.83,5.15,;-.32,5.47,;.71,4.32,;-2.86,6.29,;-2.54,7.8,;-3.87,8.57,;-5.02,7.54,;-4.39,6.13,;-6.52,7.86,;-7.61,6.77,;-7.21,5.28,;-9.1,7.17,;-.68,-.23,;-2.01,.54,;-3.34,-.23,;-3.34,-1.77,;-2.01,-2.54,;-.68,-1.77,)| 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))	BDBM574993 (1-((R)-1-(4-((S)-3-(difluoromethoxy)pyrrolidin-1-y...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC[C@@H](C2)OC(F)F)c2ncccc12 |wU:18.19,29.33,(3.84,-3.02,;5.33,-3.42,;5.73,-4.9,;7.21,-5.3,;7.61,-6.79,;9.1,-7.19,;6.52,-7.88,;5.04,-7.48,;3.95,-8.57,;4.64,-5.99,;3.15,-5.59,;2.75,-4.11,;1.26,-3.71,;.17,-4.8,;.79,-2.24,;1.69,-1,;3.23,-1,;.79,.25,;1.26,1.71,;2.77,2.03,;.23,2.86,;-1.27,2.54,;-2.3,3.68,;-1.83,5.15,;-.32,5.47,;.71,4.32,;-2.86,6.29,;-2.54,7.8,;-3.87,8.57,;-5.02,7.54,;-4.39,6.13,;-6.52,7.86,;-7.61,6.77,;-7.21,5.28,;-9.1,7.17,;-.68,-.23,;-2.01,.54,;-3.34,-.23,;-3.34,-1.77,;-2.01,-2.54,;-.68,-1.77,)| 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))	BDBM574994 (1-((R)-1-(4-(3-(difluoromethoxy)azetidin-1-yl)cycl...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC(C2)OC(F)F)c2c(F)cccc12 |wU:18.19,(-2.33,6.21,;-.82,6.53,;.21,5.39,;1.72,5.71,;2.75,4.56,;4.25,4.88,;2.27,3.1,;.76,2.78,;.29,1.31,;-.27,3.92,;-1.77,3.6,;-2.25,2.14,;-3.75,1.82,;-4.79,2.96,;-4.23,.35,;-3.33,-.89,;-1.79,-.89,;-4.23,-2.14,;-3.75,-3.6,;-4.84,-4.69,;-2.27,-4,;-1.18,-2.91,;.31,-3.31,;.71,-4.8,;-.38,-5.89,;-1.87,-5.49,;2.2,-5.2,;3.53,-4.43,;4.3,-5.76,;2.97,-6.53,;5.79,-6.16,;6.88,-5.07,;6.48,-3.58,;8.36,-5.47,;-5.7,-1.66,;-7.03,-2.43,;-7.03,-3.97,;-8.36,-1.66,;-8.36,-.12,;-7.03,.65,;-5.7,-.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))	BDBM574996 (1-((R)-1-(4-(3-(difluoromethoxy)azetidin-1-yl)cycl...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC(C2)OC(F)F)c2ncc(F)cc12 |wU:18.19,(3.23,-3.67,;4.72,-4.07,;5.12,-5.56,;6.61,-5.96,;7,-7.44,;8.49,-7.84,;5.91,-8.53,;4.43,-8.13,;3.34,-9.22,;4.03,-6.65,;2.54,-6.25,;2.14,-4.76,;.66,-4.36,;-.43,-5.45,;.18,-2.9,;1.08,-1.65,;2.62,-1.65,;.18,-.41,;.66,1.06,;2.16,1.38,;-.38,2.2,;-1.88,1.88,;-2.91,3.03,;-2.44,4.49,;-.93,4.81,;.1,3.67,;-3.47,5.64,;-5,5.72,;-4.92,7.25,;-3.39,7.17,;-5.95,8.4,;-7.46,8.08,;-7.94,6.61,;-8.49,9.22,;-1.29,-.88,;-2.62,-.11,;-3.95,-.88,;-3.95,-2.42,;-5.29,-3.19,;-2.62,-3.19,;-1.29,-2.42,)| 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))	BDBM574997 (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)[C@H]2CCC(CC2)N2CC(C2)OC(F)(F)F)c2ncncc12 |wU:18.19,20.21,(3.47,-3.67,;4.96,-4.07,;5.36,-5.56,;6.84,-5.96,;7.24,-7.44,;8.73,-7.84,;6.15,-8.53,;4.67,-8.13,;3.58,-9.22,;4.27,-6.65,;2.78,-6.25,;2.38,-4.76,;.89,-4.36,;-.2,-5.45,;.42,-2.9,;1.32,-1.65,;2.86,-1.65,;.42,-.41,;.89,1.06,;2.4,1.38,;-.14,2.2,;-1.64,1.88,;-2.67,3.03,;-2.2,4.49,;-.69,4.81,;.34,3.67,;-3.23,5.64,;-4.77,5.72,;-4.69,7.25,;-3.15,7.17,;-5.72,8.4,;-7.22,8.08,;-8.73,7.76,;-7.7,6.61,;-8.25,9.22,;-1.05,-.88,;-2.38,-.11,;-3.71,-.88,;-3.71,-2.42,;-2.38,-3.19,;-1.05,-2.42,)| 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))	BDBM574998 (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)[C@H]2CCC(CC2)N2CC(C2)OC(F)(F)F)c2ncncc12 |wU:18.19,wD:20.26,(3.47,-3.67,;4.96,-4.07,;5.36,-5.56,;6.84,-5.96,;7.24,-7.44,;8.73,-7.84,;6.15,-8.53,;4.67,-8.13,;3.58,-9.22,;4.27,-6.65,;2.78,-6.25,;2.38,-4.76,;.89,-4.36,;-.2,-5.45,;.42,-2.9,;1.32,-1.65,;2.86,-1.65,;.42,-.41,;.89,1.06,;2.4,1.38,;-.14,2.2,;.34,3.67,;-.69,4.81,;-2.2,4.49,;-2.67,3.03,;-1.64,1.88,;-3.23,5.64,;-4.77,5.72,;-4.69,7.25,;-3.15,7.17,;-5.72,8.4,;-7.22,8.08,;-8.73,7.76,;-7.7,6.61,;-8.25,9.22,;-1.05,-.88,;-2.38,-.11,;-3.71,-.88,;-3.71,-2.42,;-2.38,-3.19,;-1.05,-2.42,)| 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))	BDBM574999 (5-chloro-1-((R)-1-(4-(3-cyclopropoxyazetidin-1-yl)...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC(C2)OC2CC2)c2ncc(Cl)cc12 |wU:18.19,(3.45,-3.34,;4.94,-3.74,;5.33,-5.22,;6.82,-5.62,;7.22,-7.11,;8.71,-7.51,;6.13,-8.2,;4.64,-7.8,;3.56,-8.89,;4.25,-6.31,;2.76,-5.91,;2.36,-4.43,;.87,-4.03,;-.22,-5.12,;.4,-2.56,;1.3,-1.32,;2.84,-1.32,;.4,-.07,;.87,1.39,;2.38,1.71,;-.16,2.54,;-1.66,2.22,;-2.7,3.36,;-2.22,4.83,;-.71,5.15,;.32,4,;-3.25,5.97,;-4.79,6.05,;-4.71,7.59,;-3.17,7.51,;-5.74,8.73,;-7.24,8.41,;-8.39,7.38,;-8.71,8.89,;-1.07,-.55,;-2.4,.22,;-3.74,-.55,;-3.74,-2.09,;-5.07,-2.86,;-2.4,-2.86,;-1.07,-2.09,)| 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))	BDBM575000 (1-((R)-1-(4-(3-(difluoromethoxy)azetidin-1-yl)cycl...) Show SMILES COc1cnc2n([C@H](C)[C@H]3CCC(CC3)N3CC(C3)OC(F)F)c(C)c(C(=O)NCc3c(SC)cc(C)[nH]c3=O)c2c1 |wU:7.7,9.9,(-6.62,-2.42,;-5.29,-3.19,;-3.95,-2.42,;-3.95,-.88,;-2.62,-.11,;-1.29,-.88,;.18,-.41,;.66,1.06,;2.16,1.38,;-.38,2.2,;-1.88,1.88,;-2.91,3.03,;-2.44,4.49,;-.93,4.81,;.1,3.67,;-3.47,5.64,;-5,5.72,;-4.92,7.25,;-3.39,7.17,;-5.95,8.4,;-7.46,8.08,;-7.94,6.61,;-8.49,9.22,;1.08,-1.65,;2.62,-1.65,;.18,-2.9,;.66,-4.36,;-.43,-5.45,;2.14,-4.76,;2.54,-6.25,;4.03,-6.65,;5.12,-5.56,;4.72,-4.07,;3.23,-3.67,;6.61,-5.96,;7,-7.44,;8.49,-7.84,;5.91,-8.53,;4.43,-8.13,;3.34,-9.22,;-1.29,-2.42,;-2.62,-3.19,)| 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))	BDBM575001 (1-((R)-1-(4-(3-(difluoromethoxy)azetidin-1-yl)cycl...) Show SMILES COc1cnc2n([C@H](C)[C@H]3CCC(CC3)N3CC(C3)OC(F)F)c(C)c(C(=O)NCc3c(SC)cc(C)[nH]c3=O)c2c1 |wU:7.7,wD:9.14,(-6.62,-2.42,;-5.29,-3.19,;-3.95,-2.42,;-3.95,-.88,;-2.62,-.11,;-1.29,-.88,;.18,-.41,;.66,1.06,;2.16,1.38,;-.38,2.2,;.1,3.67,;-.93,4.81,;-2.44,4.49,;-2.91,3.03,;-1.88,1.88,;-3.47,5.64,;-5,5.72,;-4.92,7.25,;-3.39,7.17,;-5.95,8.4,;-7.46,8.08,;-7.94,6.61,;-8.49,9.22,;1.08,-1.65,;2.62,-1.65,;.18,-2.9,;.66,-4.36,;-.43,-5.45,;2.14,-4.76,;2.54,-6.25,;4.03,-6.65,;5.12,-5.56,;4.72,-4.07,;3.23,-3.67,;6.61,-5.96,;7,-7.44,;8.49,-7.84,;5.91,-8.53,;4.43,-8.13,;3.34,-9.22,;-1.29,-2.42,;-2.62,-3.19,)| 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))	BDBM575002 (5-chloro-1-((R)-1-(4-(3-cyclobutoxyazetidin-1-yl)c...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC(C2)OC2CCC2)c2ncc(Cl)cc12 |wU:18.19,(3.78,-3.52,;5.27,-3.92,;5.67,-5.41,;7.16,-5.8,;7.55,-7.29,;9.04,-7.69,;6.46,-8.38,;4.98,-7.98,;3.89,-9.07,;4.58,-6.49,;3.09,-6.1,;2.69,-4.61,;1.2,-4.21,;.12,-5.3,;.73,-2.74,;1.63,-1.5,;3.17,-1.5,;.73,-.25,;1.2,1.21,;2.71,1.53,;.17,2.36,;-1.33,2.04,;-2.36,3.18,;-1.89,4.64,;-.38,4.96,;.65,3.82,;-2.92,5.79,;-4.45,5.87,;-4.37,7.41,;-2.84,7.33,;-5.4,8.55,;-6.91,8.23,;-7.75,6.94,;-9.04,7.78,;-8.2,9.07,;-.74,-.73,;-2.07,.04,;-3.4,-.73,;-3.4,-2.27,;-4.74,-3.04,;-2.07,-3.04,;-.74,-2.27,)| 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))	BDBM575003 ((R)-6-bromo-2-methyl-N-((6-methyl-4-(methylthio)-2...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2cc(Br)ccc12 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))	BDBM575005 (1-((R)-1-(4-(3-(tert-butoxy)azetidin-1-yl)cyclohex...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC(C2)OC(C)(C)C)c2ncc(Cl)cc12 |wU:18.19,(3.47,-3.67,;4.96,-4.07,;5.36,-5.56,;6.84,-5.96,;7.24,-7.44,;8.73,-7.84,;6.15,-8.53,;4.67,-8.13,;3.58,-9.22,;4.27,-6.65,;2.78,-6.25,;2.38,-4.76,;.89,-4.36,;-.2,-5.45,;.42,-2.9,;1.32,-1.65,;2.86,-1.65,;.42,-.41,;.89,1.06,;2.4,1.38,;-.14,2.2,;-1.64,1.88,;-2.67,3.03,;-2.2,4.49,;-.69,4.81,;.34,3.67,;-3.23,5.64,;-4.77,5.72,;-4.69,7.25,;-3.15,7.17,;-5.72,8.4,;-7.22,8.08,;-7.7,6.61,;-8.73,7.76,;-8.25,9.22,;-1.05,-.88,;-2.38,-.11,;-3.71,-.88,;-3.71,-2.42,;-5.05,-3.19,;-2.38,-3.19,;-1.05,-2.42,)| 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))	BDBM575006 (US11459315, Example 130) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)NC2(COC2)C(F)(F)F)c2ccccc12 |r,wD:18.19,(8.14,-24.02,;6.64,-24.34,;6.16,-25.81,;4.65,-26.13,;4.18,-27.59,;2.67,-27.91,;5.21,-28.74,;6.71,-28.42,;7.74,-29.56,;7.19,-26.95,;8.7,-26.63,;9.17,-25.17,;10.68,-24.85,;11.71,-25.99,;11.15,-23.38,;10.25,-22.14,;8.71,-22.14,;11.15,-20.89,;10.68,-19.43,;9.17,-19.11,;11.71,-18.28,;11.23,-16.82,;12.26,-15.67,;13.77,-15.99,;14.25,-17.46,;13.22,-18.6,;14.8,-14.85,;16.31,-15.17,;17.81,-15.49,;17.49,-17,;15.99,-16.68,;16.63,-13.66,;16.95,-12.16,;18.13,-13.98,;15.12,-13.34,;12.62,-21.37,;13.95,-20.6,;15.29,-21.37,;15.29,-22.91,;13.95,-23.68,;12.62,-22.91,)| 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))	BDBM575007 ((R)-2-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(CC2)C2(C)CC2)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))	BDBM575008 (1-((R)-1-(4-cyclopropoxycyclohex-yl)ethyl)-2-methy...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)OC2CC2)c2ccccc12 |wU:18.19,(-.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,;.62,-3.23,;2.1,-3.63,;2.5,-5.12,;1.41,-6.21,;-.07,-5.81,;3.99,-5.52,;5.08,-4.43,;5.48,-2.94,;6.57,-4.03,;-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))	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	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))	BDBM575010 (4-((R)-1-(2-methyl-3-(((6-methyl-4-(methylthio)-2-...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC([O-])=O)CC2)c2ccccc12 |wU:18.19,wD:20.20,(-.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,;3.99,-5.52,;5.08,-4.43,;6.57,-4.83,;4.68,-2.94,;2.1,-3.63,;.62,-3.23,;-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))	BDBM575011 (4-((R)-1-(2-methyl-3-(((6-methyl-4-(methylthio)-2-...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC([O-])=O)CC2)c2ccccc12 |wU:18.19,20.20,(-.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,;.62,-3.23,;2.1,-3.63,;2.5,-5.12,;3.99,-5.52,;5.08,-4.43,;6.57,-4.83,;4.68,-2.94,;1.41,-6.21,;-.07,-5.81,;-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))	BDBM575012 ((R)-1-(1-(1-(2-hydroxyacetyl)piperidin-4-yl)ethyl)...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)C(=O)CO)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))	BDBM575013 ((R)-1-(1-(4-(3-hydroxyazetidin-1-yl)cyclohexyl)eth...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCC(CC2)N2CC(O)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,;.01,-2.96,;1.52,-3.28,;1.99,-4.74,;.96,-5.89,;-.54,-5.57,;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))	BDBM575014 (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)OC2COC2)c2ccccc12 |wU:18.19,20.21,(-.56,5.89,;.95,6.21,;1.98,5.07,;3.49,5.39,;4.52,4.24,;6.02,4.56,;4.04,2.78,;2.53,2.46,;2.06,.99,;1.5,3.6,;-0,3.28,;-.48,1.82,;-1.99,1.5,;-3.02,2.64,;-2.46,.03,;-1.56,-1.21,;-.02,-1.21,;-2.46,-2.46,;-1.99,-3.93,;-3.07,-5.01,;-.5,-4.32,;.59,-3.23,;2.08,-3.63,;2.48,-5.12,;1.39,-6.21,;-.1,-5.81,;3.96,-5.52,;5.05,-4.43,;6.59,-4.43,;6.59,-2.89,;5.05,-2.89,;-3.93,-1.98,;-5.26,-2.75,;-6.59,-1.98,;-6.59,-.44,;-5.26,.33,;-3.93,-.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))	BDBM575015 (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)OC2COC2)c2ccccc12 |wU:18.19,wD:20.26,(-.56,5.89,;.95,6.21,;1.98,5.07,;3.49,5.39,;4.52,4.24,;6.02,4.56,;4.04,2.78,;2.53,2.46,;2.06,.99,;1.5,3.6,;-0,3.28,;-.48,1.82,;-1.99,1.5,;-3.02,2.64,;-2.46,.03,;-1.56,-1.21,;-.02,-1.21,;-2.46,-2.46,;-1.99,-3.93,;-3.07,-5.01,;-.5,-4.32,;-.1,-5.81,;1.39,-6.21,;2.48,-5.12,;2.08,-3.63,;.59,-3.23,;3.96,-5.52,;5.05,-4.43,;6.59,-4.43,;6.59,-2.89,;5.05,-2.89,;-3.93,-1.98,;-5.26,-2.75,;-6.59,-1.98,;-6.59,-.44,;-5.26,.33,;-3.93,-.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))	BDBM575017 (1-((R)-1-(4-(3-cyanoazetidin-1-yl)cyclohexyl)ethyl...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N2CC(C2)C#N)c2ccccc12 |wU:18.19,wD:20.26,(-1.78,6.22,;-.28,6.55,;.75,5.4,;2.26,5.72,;3.29,4.58,;4.8,4.9,;2.81,3.11,;1.31,2.79,;.83,1.33,;.28,3.94,;-1.23,3.62,;-1.7,2.15,;-3.21,1.83,;-4.24,2.98,;-3.69,.37,;-2.78,-.88,;-1.24,-.88,;-3.69,-2.13,;-3.21,-3.59,;-4.3,-4.68,;-1.72,-3.99,;-1.32,-5.48,;.16,-5.87,;1.25,-4.79,;.85,-3.3,;-.63,-2.9,;2.74,-5.18,;4.07,-4.41,;4.84,-5.75,;3.51,-6.52,;6.33,-6.15,;7.82,-6.55,;-5.15,-1.65,;-6.48,-2.42,;-7.82,-1.65,;-7.82,-.11,;-6.48,.66,;-5.15,-.11,)| 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))	BDBM575018 (1-((R)-1-(4-(5-oxa-1-azaspiro[2.3]hexan-1-yl)cyclo...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CCC(CC2)N2CC22COC2)c2ncccc12 |wU:18.19,20.21,(2.52,-2.63,;4,-3.03,;4.4,-4.52,;5.89,-4.92,;6.29,-6.4,;7.78,-6.8,;5.2,-7.49,;3.71,-7.09,;2.62,-8.18,;3.31,-5.61,;1.83,-5.21,;1.43,-3.72,;-.06,-3.32,;-1.15,-4.41,;-.54,-1.86,;.37,-.61,;1.91,-.61,;-.54,.63,;-.06,2.1,;1.45,2.42,;-1.09,3.24,;-2.6,2.92,;-3.63,4.07,;-3.15,5.53,;-1.64,5.85,;-.61,4.71,;-4.18,6.68,;-4.5,8.18,;-5.65,7.15,;-6.48,5.86,;-7.78,6.7,;-6.94,7.99,;-2,.16,;-3.33,.93,;-4.67,.16,;-4.67,-1.38,;-3.33,-2.15,;-2,-1.38,)| 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))	BDBM575020 ((R)-1-(1-(1-(3-methoxycyclobutyl)piperi-din-4-yl)e...) Show SMILES COC1CC(C1)N1CCC(CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |wU:12.14,(7.68,-4.75,;6.59,-5.84,;5.08,-5.51,;4.25,-4.22,;2.95,-5.06,;3.79,-6.35,;1.45,-4.74,;.42,-5.89,;-1.09,-5.57,;-1.57,-4.1,;-.53,-2.96,;.97,-3.28,;-3.07,-3.78,;-4.1,-4.93,;-3.55,-2.32,;-2.64,-1.07,;-1.1,-1.07,;-3.55,.17,;-3.07,1.64,;-4.1,2.78,;-1.57,1.96,;-1.09,3.42,;.42,3.74,;1.45,2.6,;.97,1.14,;-.53,.82,;2.95,2.92,;3.43,4.38,;4.94,4.71,;2.4,5.53,;.89,5.21,;-.14,6.35,;-5.01,-.3,;-6.35,.47,;-7.68,-.3,;-7.68,-1.84,;-6.35,-2.61,;-5.01,-1.84,)| 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))	BDBM575021 ((R)-1-(1-(1-(3-methoxycyclobutyl)piperi-din-4-yl)e...) Show SMILES COC1CC(C1)N1CCC(CC1)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2cccnc12 |wU:12.14,(-8.06,8.42,;-6.56,8.74,;-5.52,7.59,;-5.61,6.06,;-4.07,5.98,;-3.99,7.51,;-3.04,4.83,;-1.53,5.15,;-.5,4.01,;-.98,2.54,;-2.48,2.22,;-3.51,3.37,;.05,1.4,;1.56,1.72,;-.42,-.07,;.48,-1.31,;2.02,-1.31,;-.42,-2.56,;.05,-4.02,;-.98,-5.17,;1.56,-4.34,;2.04,-5.81,;3.54,-6.13,;4.02,-7.59,;2.99,-8.74,;1.48,-8.42,;5.52,-7.91,;6.56,-6.77,;8.06,-7.09,;6.08,-5.3,;4.57,-4.98,;4.1,-3.52,;-1.89,-2.08,;-3.22,-2.85,;-4.55,-2.08,;-4.55,-.54,;-3.22,.23,;-1.89,-.54,)| 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

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