Compile Data Set for Download or QSAR

Found 4941 hits of ic50 for UniProtKB: Q15910   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50594146 (CHEMBL5206842) Show SMILES COC1CN(C1)[C@H]1CC[C@@H](CC1)[C@@H](C)c1sc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C |r,wU:9.9,12.14,wD:6.6,(10.07,6.78,;8.53,6.78,;7.76,5.44,;6.28,5.04,;6.67,3.56,;8.16,3.96,;5.9,2.22,;4.36,2.22,;3.59,.89,;4.36,-.44,;5.9,-.44,;6.67,.89,;3.59,-1.78,;4.36,-3.11,;2.05,-1.78,;1.15,-.53,;-.32,-1.01,;-1.52,-.05,;-3.02,-.39,;-3.69,-1.78,;-3.02,-3.16,;-3.98,-4.37,;-5.5,-4.14,;-6.07,-2.71,;-5.11,-1.5,;-7.59,-2.48,;-8.55,-3.68,;-10.07,-3.45,;-7.99,-5.11,;-6.46,-5.34,;-5.9,-6.78,;-1.52,-3.51,;-1.18,-5.01,;-.32,-2.55,;1.15,-3.02,;1.62,-4.49,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00970	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00047 BindingDB Entry DOI: 10.7270/Q27D3059
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50594109 (CHEMBL5188827) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(nc2)N2CCOCC2)c2ccn(C(C)C)c2c1C Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00047 BindingDB Entry DOI: 10.7270/Q27D3059
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50594115 (CHEMBL5172110) Show SMILES [H][C@@]1(CC[C@@H](CC1)N(C)C)[C@]1(C)Oc2c(O1)c(Cl)c1CCN(Cc3c(SC)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:4.7,1.0,wD:10.11,(4.02,.48,;5.35,-.29,;6.84,-.69,;7.93,.4,;7.53,1.89,;6.04,2.29,;4.95,1.2,;8.62,2.98,;8.22,4.46,;10.11,2.58,;4.26,-1.38,;5.6,-2.15,;3.36,-.13,;1.89,-.61,;1.89,-2.15,;3.36,-2.62,;.57,-2.92,;.57,-4.46,;-.77,-2.16,;-2.11,-2.93,;-3.45,-2.16,;-3.44,-.61,;-4.77,.15,;-6.11,-.62,;-6.1,-2.16,;-4.77,-2.93,;-4.77,-4.46,;-7.44,-2.93,;-8.77,-2.16,;-10.11,-2.93,;-8.77,-.62,;-7.44,.15,;-7.44,1.69,;-2.11,.16,;-2.11,1.7,;-.77,-.61,;.56,.16,;.56,1.7,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00047 BindingDB Entry DOI: 10.7270/Q27D3059
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50010823 (CHEMBL3264787) Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)c1ccc(Oc2cccc(-c3ccnnc3)c2C#N)c(Cl)c1 Show InChI InChI=1S/C27H28ClN5O2/c1-26(2)13-19(14-27(3,4)33-26)32-25(34)17-8-9-24(22(28)12-17)35-23-7-5-6-20(21(23)15-29)18-10-11-30-31-16-18/h5-12,16,19,33H,13-14H2,1-4H3,(H,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01208 BindingDB Entry DOI: 10.7270/Q25X2DZR
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542482 (US11274095, Example 14-Enantiomer-1 | US11274095, ...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCN(CC(F)(F)F)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542469 (US11274095, Example 4) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2O[C@@](C)(Oc2c1C)[C@H]1CC[C@@H](CC1)N(C)C |r,wU:29.35,wD:20.21,26.29,(-4.77,-4.46,;-4.77,-2.92,;-6.11,-2.15,;-7.44,-2.92,;-8.77,-2.15,;-10.11,-2.92,;-8.77,-.61,;-7.44,.16,;-7.44,1.7,;-6.11,-.61,;-4.77,.16,;-3.44,-.61,;-2.11,.16,;-2.11,1.7,;-.77,-.61,;-.77,-2.15,;.56,-2.92,;.56,-4.46,;1.9,-2.15,;3.36,-2.63,;4.26,-1.38,;5.35,-2.47,;3.36,-.14,;1.9,-.61,;.56,.16,;.56,1.7,;5.35,-.29,;6.84,-.69,;7.93,.4,;7.53,1.89,;6.04,2.28,;4.96,1.19,;8.62,2.97,;10.11,2.58,;8.22,4.46,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0380	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00047 BindingDB Entry DOI: 10.7270/Q27D3059
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542469 (US11274095, Example 4) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2O[C@@](C)(Oc2c1C)[C@H]1CC[C@@H](CC1)N(C)C |r,wU:29.35,wD:20.21,26.29,(-4.77,-4.46,;-4.77,-2.92,;-6.11,-2.15,;-7.44,-2.92,;-8.77,-2.15,;-10.11,-2.92,;-8.77,-.61,;-7.44,.16,;-7.44,1.7,;-6.11,-.61,;-4.77,.16,;-3.44,-.61,;-2.11,.16,;-2.11,1.7,;-.77,-.61,;-.77,-2.15,;.56,-2.92,;.56,-4.46,;1.9,-2.15,;3.36,-2.63,;4.26,-1.38,;5.35,-2.47,;3.36,-.14,;1.9,-.61,;.56,.16,;.56,1.7,;5.35,-.29,;6.84,-.69,;7.93,.4,;7.53,1.89,;6.04,2.28,;4.96,1.19,;8.62,2.97,;10.11,2.58,;8.22,4.46,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0380	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542475 (7-chloro-N-((4-chloro-6-methyl-2-oxo-1,2-dihydropy...) Show SMILES Cc1cc(Cl)c(CNC(=O)c2cc(Cl)c3OC(C)(Oc3c2C)C2CCC(CC2)N2CC(C2)OC2CC2)c(=O)[nH]1 |(-12.17,-3.49,;-10.83,-2.72,;-9.5,-3.49,;-8.17,-2.72,;-6.83,-3.49,;-8.17,-1.18,;-6.83,-.41,;-5.5,-1.18,;-4.16,-.41,;-4.16,1.13,;-2.83,-1.18,;-2.83,-2.72,;-1.5,-3.49,;-1.5,-5.03,;-.16,-2.72,;1.3,-3.2,;2.21,-1.95,;3.3,-3.04,;1.3,-.71,;-.16,-1.18,;-1.5,-.41,;-1.5,1.13,;3.3,-.86,;4.78,-1.26,;5.87,-.17,;5.47,1.31,;3.99,1.71,;2.9,.62,;6.56,2.4,;8.1,2.4,;8.1,3.94,;6.56,3.94,;9.19,5.03,;10.68,4.63,;11.77,3.54,;12.17,5.03,;-9.5,-.41,;-9.5,1.13,;-10.83,-1.18,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0390	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542475 (7-chloro-N-((4-chloro-6-methyl-2-oxo-1,2-dihydropy...) Show SMILES Cc1cc(Cl)c(CNC(=O)c2cc(Cl)c3OC(C)(Oc3c2C)C2CCC(CC2)N2CC(C2)OC2CC2)c(=O)[nH]1 |(-12.17,-3.49,;-10.83,-2.72,;-9.5,-3.49,;-8.17,-2.72,;-6.83,-3.49,;-8.17,-1.18,;-6.83,-.41,;-5.5,-1.18,;-4.16,-.41,;-4.16,1.13,;-2.83,-1.18,;-2.83,-2.72,;-1.5,-3.49,;-1.5,-5.03,;-.16,-2.72,;1.3,-3.2,;2.21,-1.95,;3.3,-3.04,;1.3,-.71,;-.16,-1.18,;-1.5,-.41,;-1.5,1.13,;3.3,-.86,;4.78,-1.26,;5.87,-.17,;5.47,1.31,;3.99,1.71,;2.9,.62,;6.56,2.4,;8.1,2.4,;8.1,3.94,;6.56,3.94,;9.19,5.03,;10.68,4.63,;11.77,3.54,;12.17,5.03,;-9.5,-.41,;-9.5,1.13,;-10.83,-1.18,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0390	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00047 BindingDB Entry DOI: 10.7270/Q27D3059
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542486 (7-chloro-2-(4-(3-methoxyazetidin-1-yl)cyclohexyl)-...) Show SMILES COC1CN(C1)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(SC)cc(C)[nH]c1=O |(11.42,4.63,;9.94,5.03,;8.85,3.94,;8.85,2.4,;7.31,2.4,;7.31,3.94,;6.22,1.31,;6.62,-.17,;5.53,-1.26,;4.04,-.86,;3.64,.62,;4.73,1.71,;2.95,-1.95,;4.04,-3.04,;2.05,-3.2,;.58,-2.72,;.58,-1.18,;2.05,-.71,;-.75,-.41,;-.75,1.13,;-2.09,-1.18,;-2.09,-2.72,;-.75,-3.49,;-.75,-5.03,;-3.42,-.41,;-3.42,1.13,;-4.75,-1.18,;-6.09,-.41,;-7.42,-1.18,;-7.42,-2.72,;-6.09,-3.49,;-6.09,-5.03,;-8.76,-3.49,;-10.09,-2.72,;-11.42,-3.49,;-10.09,-1.18,;-8.76,-.41,;-8.76,1.13,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.0430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542476 (US11274095, Example 9) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)N1CC(C1)OC1CC1 |(-6.83,-5.03,;-6.83,-3.49,;-8.17,-2.72,;-9.5,-3.49,;-10.83,-2.72,;-12.17,-3.49,;-10.83,-1.18,;-9.5,-.41,;-9.5,1.13,;-8.17,-1.18,;-6.83,-.41,;-5.5,-1.18,;-4.16,-.41,;-4.16,1.13,;-2.83,-1.18,;-2.83,-2.72,;-1.5,-3.49,;-1.5,-5.03,;-.16,-2.72,;1.3,-3.2,;2.21,-1.95,;3.3,-3.04,;1.3,-.71,;-.16,-1.18,;-1.5,-.41,;-1.5,1.13,;3.3,-.86,;4.78,-1.26,;5.87,-.17,;5.47,1.31,;3.99,1.71,;2.9,.62,;6.56,2.4,;8.1,2.4,;8.1,3.94,;6.56,3.94,;9.19,5.03,;10.68,4.63,;11.77,3.54,;12.17,5.03,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542470 (US11274095, Example 5) Show SMILES CSc1nc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2O[C@@](C)(Oc2c1C)[C@H]1CC[C@@H](CC1)N(C)C |r,wU:29.35,wD:20.21,26.29,(-4.77,-4.46,;-4.77,-2.92,;-6.11,-2.15,;-7.44,-2.92,;-8.77,-2.15,;-10.11,-2.92,;-8.77,-.61,;-7.44,.16,;-7.44,1.7,;-6.11,-.61,;-4.77,.16,;-3.44,-.61,;-2.11,.16,;-2.11,1.7,;-.77,-.61,;-.77,-2.15,;.56,-2.92,;.56,-4.46,;1.9,-2.15,;3.36,-2.63,;4.26,-1.38,;5.35,-2.47,;3.36,-.14,;1.9,-.61,;.56,.16,;.56,1.7,;5.35,-.29,;6.84,-.69,;7.93,.4,;7.53,1.89,;6.04,2.28,;4.96,1.19,;8.62,2.97,;10.11,2.58,;8.22,4.46,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50597874 (CHEMBL5188476) 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:15.18,wD:4.7,1.0,(.87,-.92,;-.67,-.92,;.1,-2.26,;-.67,-3.59,;-2.21,-3.59,;-2.98,-2.26,;-2.21,-.92,;-2.98,-4.92,;-2.58,-6.44,;-4.07,-6.83,;-4.47,-5.32,;-4.84,-8.17,;-4.07,-9.5,;-4.07,-11.05,;-2.73,-10.27,;.1,.41,;1.64,.41,;-.67,1.75,;-.2,3.21,;1.29,3.61,;-1.44,4.11,;-1.44,5.65,;-2.78,6.43,;-.11,6.43,;-.11,7.97,;1.22,8.74,;2.56,7.97,;2.56,6.43,;3.89,5.66,;3.89,8.74,;3.89,10.28,;5.22,11.05,;2.56,11.05,;1.22,10.28,;-.11,11.05,;-2.69,3.21,;-4.2,3.53,;-5.22,2.38,;-4.75,.93,;-3.24,.61,;-2.21,1.75,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01208 BindingDB Entry DOI: 10.7270/Q25X2DZR
					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))	BDBM542481 (US11274095, Example 13) Show SMILES Cc1cc(Cl)c(CNC(=O)c2cc(Cl)c3OC(C)(Oc3c2C)C2CCC(CC2)N2CC(C2)OC(F)F)c(=O)[nH]1 |(-11.97,-3.84,;-10.63,-3.07,;-9.3,-3.84,;-7.97,-3.07,;-6.63,-3.84,;-7.97,-1.53,;-6.63,-.76,;-5.3,-1.53,;-3.96,-.76,;-3.96,.78,;-2.63,-1.53,;-2.63,-3.07,;-1.3,-3.84,;-1.3,-5.38,;.04,-3.07,;1.5,-3.54,;2.41,-2.3,;3.49,-3.39,;1.5,-1.05,;.04,-1.53,;-1.3,-.76,;-1.3,.78,;3.49,-1.21,;4.98,-1.61,;6.07,-.52,;5.67,.97,;4.19,1.37,;3.1,.28,;6.76,2.06,;8.3,2.06,;8.3,3.6,;6.76,3.6,;9.39,4.69,;10.88,4.29,;11.97,5.38,;11.28,2.8,;-9.3,-.76,;-9.3,.78,;-10.63,-1.53,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0840	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542466 (US11274095, Example 1) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)N1CC(C1)OC(F)F |(-6.63,-5.38,;-6.63,-3.84,;-7.97,-3.07,;-9.3,-3.84,;-10.63,-3.07,;-11.97,-3.84,;-10.63,-1.53,;-9.3,-.76,;-9.3,.78,;-7.97,-1.53,;-6.63,-.76,;-5.3,-1.53,;-3.96,-.76,;-3.96,.78,;-2.63,-1.53,;-2.63,-3.07,;-1.3,-3.84,;-1.3,-5.38,;.04,-3.07,;1.5,-3.54,;2.41,-2.3,;3.49,-3.39,;1.5,-1.05,;.04,-1.53,;-1.3,-.76,;-1.3,.78,;3.49,-1.21,;4.98,-1.61,;6.07,-.52,;5.67,.97,;4.19,1.37,;3.1,.28,;6.76,2.06,;8.3,2.06,;8.3,3.6,;6.76,3.6,;9.39,4.69,;10.88,4.29,;11.97,5.38,;11.28,2.8,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0910	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542480 (US11274095, Example 12) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)N1CC(F)C1 |(-5.34,-5.03,;-5.34,-3.49,;-6.68,-2.72,;-8.01,-3.49,;-9.35,-2.72,;-10.68,-3.49,;-9.35,-1.18,;-8.01,-.41,;-8.01,1.13,;-6.68,-1.18,;-5.34,-.41,;-4.01,-1.18,;-2.68,-.41,;-2.68,1.13,;-1.34,-1.18,;-1.34,-2.72,;-.01,-3.49,;-.01,-5.03,;1.32,-2.72,;2.79,-3.2,;3.69,-1.95,;4.78,-3.04,;2.79,-.71,;1.32,-1.18,;-.01,-.41,;-.01,1.13,;4.78,-.86,;6.27,-1.26,;7.36,-.17,;6.96,1.31,;5.47,1.71,;4.38,.62,;8.05,2.4,;9.59,2.4,;9.59,3.94,;10.68,5.03,;8.05,3.94,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0920	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					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/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451038 (8-(4-((dimethylamino)methyl)phenyl)-N-(2-fluoro- |...) Show SMILES COc1cccc(F)c1CNc1ncc(-c2ccc(CN(C)C)cc2)c2cncn12 Show InChI InChI=1S/C23H24FN5O/c1-28(2)14-16-7-9-17(10-8-16)18-11-26-23(29-15-25-13-21(18)29)27-12-19-20(24)5-4-6-22(19)30-3/h4-11,13,15H,12,14H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-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/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451065 (US10676479, Example 95 | ethyl 5-(((5-fluoro-2,3-d...) Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3C)c12 Show InChI InChI=1S/C24H22FN5O3/c1-3-32-23(31)21-22-18(15-5-4-9-26-14(15)2)12-28-24(30(22)13-29-21)27-11-17-16-8-10-33-20(16)7-6-19(17)25/h4-7,9,12-13H,3,8,10-11H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542473 (US11274095, Example 7-Enantiomer-1 | US11274095, E...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)N1CC(F)(F)C1 |(-5.54,-5.23,;-5.54,-3.69,;-6.88,-2.92,;-8.21,-3.69,;-9.54,-2.92,;-10.88,-3.69,;-9.54,-1.38,;-8.21,-.61,;-8.21,.93,;-6.88,-1.38,;-5.54,-.61,;-4.21,-1.38,;-2.88,-.61,;-2.88,.93,;-1.54,-1.38,;-1.54,-2.92,;-.21,-3.69,;-.21,-5.23,;1.13,-2.92,;2.59,-3.4,;3.49,-2.15,;4.58,-3.24,;2.59,-.91,;1.13,-1.38,;-.21,-.61,;-.21,.93,;4.58,-1.06,;6.07,-1.46,;7.16,-.37,;6.76,1.12,;5.27,1.51,;4.19,.42,;7.85,2.2,;9.39,2.2,;9.39,3.74,;9.79,5.23,;10.88,4.14,;7.85,3.74,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					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))	BDBM542478 (US11274095, Example 11-isomer-1 | US11274095, Exam...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)NC1(CF)COC1 |(-6.06,-4.06,;-6.06,-2.52,;-7.4,-1.75,;-8.73,-2.52,;-10.06,-1.75,;-11.4,-2.52,;-10.06,-.21,;-8.73,.56,;-8.73,2.1,;-7.4,-.21,;-6.06,.56,;-4.73,-.21,;-3.39,.56,;-3.39,2.1,;-2.06,-.21,;-2.06,-1.75,;-.73,-2.52,;-.73,-4.06,;.61,-1.75,;2.07,-2.23,;2.98,-.98,;4.07,-2.07,;2.07,.26,;.61,-.21,;-.73,.56,;-.73,2.1,;4.07,.11,;5.55,-.29,;6.64,.8,;6.24,2.28,;4.76,2.68,;3.67,1.59,;7.33,3.37,;8.82,2.97,;9.91,4.06,;11.4,3.66,;8.05,1.64,;9.38,.87,;10.15,2.2,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542471 (US11274095, Example 6-Enantiomer-1 | US11274095, E...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)NC1(COC1)C(F)(F)F |(8.89,-3.03,;10.22,-2.26,;10.22,-.72,;11.56,.05,;11.56,1.59,;12.89,2.36,;10.22,2.36,;8.89,1.59,;7.55,2.36,;8.89,.05,;7.55,-.72,;6.22,.05,;4.89,-.72,;4.89,-2.26,;3.55,.05,;3.55,1.59,;2.22,2.36,;2.22,3.9,;.89,1.59,;-.58,2.06,;-1.48,.82,;-2.83,1.57,;-.58,-.43,;.89,.05,;2.22,-.72,;2.22,-2.26,;-2.83,.06,;-2.84,-1.48,;-4.18,-2.24,;-5.51,-1.45,;-5.49,.09,;-4.15,.84,;-6.85,-2.21,;-6.87,-3.75,;-6.88,-5.29,;-5.34,-5.3,;-5.33,-3.76,;-8.41,-3.73,;-9.95,-3.72,;-8.39,-2.19,;-8.42,-5.27,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50110371 (CHEMBL3605441) Show SMILES CC(c1ccccc1)c1ccc(cc1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.153	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00047 BindingDB Entry DOI: 10.7270/Q27D3059
					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))	BDBM636214 (US20230365541, Compound 60, isomer 1) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)[C@H]1CC[C@@H](CC1)N1CC2COCC2C1 |r,wU:29.35,wD:26.28,(-6.03,-23.5,;-6.03,-21.96,;-7.36,-21.19,;-8.7,-21.96,;-10.03,-21.19,;-11.36,-21.96,;-10.03,-19.65,;-8.7,-18.88,;-8.7,-17.34,;-7.36,-19.65,;-6.03,-18.88,;-4.7,-19.65,;-3.36,-18.88,;-3.36,-17.34,;-2.03,-19.65,;-2.03,-21.19,;-.69,-21.96,;-.69,-23.5,;.64,-21.19,;2.1,-21.67,;3.01,-20.42,;4.34,-21.19,;2.1,-19.18,;.64,-19.65,;-.69,-18.88,;-.69,-17.34,;4.34,-19.65,;5.68,-20.42,;7.01,-19.65,;7.01,-18.11,;5.68,-17.34,;4.34,-18.11,;8.34,-17.34,;9.81,-17.82,;10.71,-16.57,;12.18,-16.09,;12.18,-14.55,;10.71,-14.08,;9.81,-15.32,;8.34,-15.8,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542478 (US11274095, Example 11-isomer-1 | US11274095, Exam...) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)NC1(CF)COC1 |(-6.06,-4.06,;-6.06,-2.52,;-7.4,-1.75,;-8.73,-2.52,;-10.06,-1.75,;-11.4,-2.52,;-10.06,-.21,;-8.73,.56,;-8.73,2.1,;-7.4,-.21,;-6.06,.56,;-4.73,-.21,;-3.39,.56,;-3.39,2.1,;-2.06,-.21,;-2.06,-1.75,;-.73,-2.52,;-.73,-4.06,;.61,-1.75,;2.07,-2.23,;2.98,-.98,;4.07,-2.07,;2.07,.26,;.61,-.21,;-.73,.56,;-.73,2.1,;4.07,.11,;5.55,-.29,;6.64,.8,;6.24,2.28,;4.76,2.68,;3.67,1.59,;7.33,3.37,;8.82,2.97,;9.91,4.06,;11.4,3.66,;8.05,1.64,;9.38,.87,;10.15,2.2,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					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))	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))	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))	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))	BDBM542477 (US11274095, Example 10) Show SMILES CSc1nc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)C1CCC(CC1)N1CC(C1)OC(F)F |(-6.63,-5.38,;-6.63,-3.84,;-7.97,-3.07,;-9.3,-3.84,;-10.63,-3.07,;-11.97,-3.84,;-10.63,-1.53,;-9.3,-.76,;-9.3,.78,;-7.97,-1.53,;-6.63,-.76,;-5.3,-1.53,;-3.96,-.76,;-3.96,.78,;-2.63,-1.53,;-2.63,-3.07,;-1.3,-3.84,;-1.3,-5.38,;.04,-3.07,;1.5,-3.54,;2.41,-2.3,;3.49,-3.39,;1.5,-1.05,;.04,-1.53,;-1.3,-.76,;-1.3,.78,;3.49,-1.21,;4.98,-1.61,;6.07,-.52,;5.67,.97,;4.19,1.37,;3.1,.28,;6.76,2.06,;8.3,2.06,;8.3,3.6,;6.76,3.6,;9.39,4.69,;10.88,4.29,;11.97,5.38,;11.28,2.8,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.202	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50594135 (CHEMBL5188577) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C)-c1ccc2CCC(N3CCOCC3)c2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00047 BindingDB Entry DOI: 10.7270/Q27D3059
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM636198 (US20230365541, Compound 42, isomer 2) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)[C@@H]1CC[C@@H](CC1)N1CC2CN(C)CC2C1 |r,wU:26.28,29.35,(-9.14,-19.26,;-9.14,-17.72,;-10.48,-16.95,;-11.81,-17.72,;-13.15,-16.95,;-14.48,-17.72,;-13.15,-15.41,;-11.81,-14.64,;-11.81,-13.1,;-10.48,-15.41,;-9.14,-14.64,;-7.81,-15.41,;-6.48,-14.64,;-6.48,-13.1,;-5.14,-15.41,;-5.14,-16.95,;-3.81,-17.72,;-3.81,-19.26,;-2.48,-16.95,;-1.01,-17.43,;-.11,-16.18,;.98,-17.27,;-1.01,-14.94,;-2.48,-15.41,;-3.81,-14.64,;-3.81,-13.1,;1.23,-15.41,;2.56,-16.18,;3.89,-15.41,;3.89,-13.87,;2.56,-13.1,;1.23,-13.87,;5.23,-13.1,;6.64,-13.73,;7.67,-12.59,;9.17,-12.27,;9.33,-10.73,;10.67,-9.96,;7.93,-10.11,;6.9,-11.25,;5.39,-11.57,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM636217 (US20230365541, Compound 61, isomer 2) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)[C@@H]1CC[C@@H](CC1)NC1COC1 |r,wU:26.28,29.35,(-8.52,-6.52,;-8.52,-4.98,;-9.85,-4.21,;-11.19,-4.98,;-12.52,-4.21,;-13.85,-4.98,;-12.52,-2.67,;-11.19,-1.9,;-11.19,-.36,;-9.85,-2.67,;-8.52,-1.9,;-7.19,-2.67,;-5.85,-1.9,;-5.85,-.36,;-4.52,-2.67,;-4.52,-4.21,;-3.19,-4.98,;-3.19,-6.52,;-1.85,-4.21,;-.39,-4.68,;.52,-3.44,;1.85,-4.21,;-.39,-2.19,;-1.85,-2.67,;-3.19,-1.9,;-3.19,-.36,;1.85,-2.67,;3.19,-3.44,;4.52,-2.67,;4.52,-1.13,;3.19,-.36,;1.85,-1.13,;5.85,-.36,;7.19,-1.13,;7.59,-2.62,;9.07,-2.22,;8.67,-.73,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM636203 (US20230365541, Compound 45, isomer 1) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)[C@H]1CC[C@@H](CC1)N[C@H]1C[C@H](O)C1 |r,wU:26.28,33.36,wD:29.35,35.39,(-6.8,22.49,;-6.8,24.03,;-8.13,24.8,;-9.46,24.03,;-10.8,24.8,;-12.13,24.03,;-10.8,26.34,;-9.46,27.11,;-9.46,28.65,;-8.13,26.34,;-6.8,27.11,;-5.46,26.34,;-4.13,27.11,;-4.13,28.65,;-2.79,26.34,;-2.79,24.8,;-1.46,24.03,;-1.46,22.49,;-.13,24.8,;1.34,24.32,;2.24,25.57,;3.58,24.8,;1.34,26.81,;-.13,26.34,;-1.46,27.11,;-1.46,28.65,;3.58,26.34,;3.58,27.88,;4.91,28.65,;6.24,27.88,;6.24,26.34,;4.91,25.57,;7.58,28.65,;8.91,27.88,;10.4,28.27,;10.8,26.79,;12.13,26.02,;9.31,26.39,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM542484 (US11274095, Example 16-Enantiomer-1 | US11274095, ...) Show SMILES Cc1cc(Cl)c(CNC(=O)c2cc(Cl)c3OC(C)(Oc3c2C)C2CCN(CC(F)(F)F)CC2)c(=O)[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description EZH2 biochemical assay (IC50): Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM P...				Citation and Details BindingDB Entry DOI: 10.7270/Q23N26MD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM636208 (US20230365541, Compound 49, isomer 2) Show SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2OC(C)(Oc2c1C)[C@H]1CC[C@@H](CC1)N1CC[Si](C)(C)CC1 |r,wU:29.35,wD:26.28,(5.74,-4.62,;5.74,-3.08,;4.41,-2.31,;3.07,-3.08,;1.74,-2.31,;.41,-3.08,;1.74,-.77,;3.07,,;3.07,1.54,;4.41,-.77,;5.74,,;7.07,-.77,;8.41,,;8.41,1.54,;9.74,-.77,;9.74,-2.31,;11.07,-3.08,;11.07,-4.62,;12.41,-2.31,;13.87,-2.79,;14.78,-1.54,;15.73,-2.58,;13.87,-.29,;12.41,-.77,;11.07,,;11.07,1.54,;16.11,-.77,;17.45,-1.54,;18.78,-.77,;18.78,.77,;17.45,1.54,;16.11,.77,;20.11,1.54,;20.11,3.08,;21.45,3.85,;22.78,3.08,;24.11,3.85,;22.78,4.62,;22.78,1.54,;21.45,.77,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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