Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2' and Ligand = 'BDBM50205633'   

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))	BDBM50205633 (CHEMBL3909213) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1cnc(nc1)N1CCNCC1 Show InChI InChI=1S/C31H39N7O3/c1-19-12-21(3)36-30(40)26(19)17-33-29(39)25-13-22(23-15-34-31(35-16-23)37-8-6-32-7-9-37)14-27-28(25)20(2)18-38(27)24-4-10-41-11-5-24/h12-16,20,24,32H,4-11,17-18H2,1-3H3,(H,33,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50205633 (CHEMBL3909213) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1cnc(nc1)N1CCNCC1 Show InChI InChI=1S/C31H39N7O3/c1-19-12-21(3)36-30(40)26(19)17-33-29(39)25-13-22(23-15-34-31(35-16-23)37-8-6-32-7-9-37)14-27-28(25)20(2)18-38(27)24-4-10-41-11-5-24/h12-16,20,24,32H,4-11,17-18H2,1-3H3,(H,33,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair