Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2' and Ligand = 'BDBM50246953'   

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))	BDBM50246953 (CHEMBL4090352 | US10570121, Example 3) Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOC4)c(Cl)c3C2=O)c(=O)[nH]1 Show InChI InChI=1S/C23H26Cl2N2O4/c1-12-7-13(2)26-22(29)17(12)9-27-5-3-15-19(24)8-16(21(25)20(15)23(27)30)18(10-28)14-4-6-31-11-14/h7-8,14,18,28H,3-6,9-11H2,1-2H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description A. Compound preparation1. Prepare 10 mM stock solutions in 100% DMSO from solid material2. Serial dilute 10 mM compound stocks either 2 or 3-fold in ...				US Patent US10570121 (2020) BindingDB Entry DOI: 10.7270/Q28W3GQD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50246953 (CHEMBL4090352 | US10570121, Example 3) Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOC4)c(Cl)c3C2=O)c(=O)[nH]1 Show InChI InChI=1S/C23H26Cl2N2O4/c1-12-7-13(2)26-22(29)17(12)9-27-5-3-15-19(24)8-16(21(25)20(15)23(27)30)18(10-28)14-4-6-31-11-14/h7-8,14,18,28H,3-6,9-11H2,1-2H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description A. Compound preparation1. Prepare 10 mM stock solutions in 100% DMSO from solid material2. Serial dilute 10 mM compound stocks either 2 or 3-fold in ...				US Patent US10570121 (2020) BindingDB Entry DOI: 10.7270/Q28W3GQD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50246953 (CHEMBL4090352 | US10570121, Example 3) Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOC4)c(Cl)c3C2=O)c(=O)[nH]1 Show InChI InChI=1S/C23H26Cl2N2O4/c1-12-7-13(2)26-22(29)17(12)9-27-5-3-15-19(24)8-16(21(25)20(15)23(27)30)18(10-28)14-4-6-31-11-14/h7-8,14,18,28H,3-6,9-11H2,1-2H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec Curated by ChEMBL					Assay Description Inhibition of EZH2 in human KARPAS422 cells assessed as reduction in H3K27me3 level after 72 hrs by ELISA				J Med Chem 61: 650-665 (2018) Article DOI: 10.1021/acs.jmedchem.7b01375 BindingDB Entry DOI: 10.7270/Q2X069G8
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50246953 (CHEMBL4090352 | US10570121, Example 3) Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOC4)c(Cl)c3C2=O)c(=O)[nH]1 Show InChI InChI=1S/C23H26Cl2N2O4/c1-12-7-13(2)26-22(29)17(12)9-27-5-3-15-19(24)8-16(21(25)20(15)23(27)30)18(10-28)14-4-6-31-11-14/h7-8,14,18,28H,3-6,9-11H2,1-2H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec Curated by ChEMBL					Assay Description Inhibition of EZH2 in human KARPAS422 cells assessed as reduction in H3K27me3 level after 72 hrs by ELISA				J Med Chem 61: 650-665 (2018) Article DOI: 10.1021/acs.jmedchem.7b01375 BindingDB Entry DOI: 10.7270/Q2X069G8
					More data for this Ligand-Target Pair