Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2' and Ligand = 'BDBM50149616'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50149616 (CHEMBL3770922 | US10273223, Compound B-36 | US9637...) Show SMILES CC(C)n1ncc2c(cc(nc12)C1=CC(C)(C)NC(C)(C)C1)C(=O)NCc1c(C)cc(C)[nH]c1=O |t:14| Show InChI InChI=1S/C27H36N6O2/c1-15(2)33-23-21(14-29-33)19(24(34)28-13-20-16(3)9-17(4)30-25(20)35)10-22(31-23)18-11-26(5,6)32-27(7,8)12-18/h9-11,14-15,32H,12-13H2,1-8H3,(H,28,34)(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Curated by ChEMBL					Assay Description Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay				J Med Chem 59: 1556-64 (2016) Article DOI: 10.1021/acs.jmedchem.5b01501 BindingDB Entry DOI: 10.7270/Q2B56MM7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50149616 (CHEMBL3770922 | US10273223, Compound B-36 | US9637...) Show SMILES CC(C)n1ncc2c(cc(nc12)C1=CC(C)(C)NC(C)(C)C1)C(=O)NCc1c(C)cc(C)[nH]c1=O |t:14| Show InChI InChI=1S/C27H36N6O2/c1-15(2)33-23-21(14-29-33)19(24(34)28-13-20-16(3)9-17(4)30-25(20)35)10-22(31-23)18-11-26(5,6)32-27(7,8)12-18/h9-11,14-15,32H,12-13H2,1-8H3,(H,28,34)(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description eneral Procedure for Wild-Type PRC2 Enzyme Assay on Oligonucleosome Substrate. The assays was performed in a buffer consisting of 20 mM bicine (pH=7....				J Med Chem 51: 2350-3 (2008) BindingDB Entry DOI: 10.7270/Q28P62V9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50149616 (CHEMBL3770922 | US10273223, Compound B-36 | US9637...) Show SMILES CC(C)n1ncc2c(cc(nc12)C1=CC(C)(C)NC(C)(C)C1)C(=O)NCc1c(C)cc(C)[nH]c1=O |t:14| Show InChI InChI=1S/C27H36N6O2/c1-15(2)33-23-21(14-29-33)19(24(34)28-13-20-16(3)9-17(4)30-25(20)35)10-22(31-23)18-11-26(5,6)32-27(7,8)12-18/h9-11,14-15,32H,12-13H2,1-8H3,(H,28,34)(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description Recombinant PRC2 Enzymes. Human PRC2 enzymes were purified as 4-component enzyme complexes co-expressed in Spodoptera frugiperda (sf9) cells using a ...				US Patent US9637472 (2017) BindingDB Entry DOI: 10.7270/Q2X0693B
					More data for this Ligand-Target Pair