Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2 [Y641F]' and Ligand = 'BDBM172069'   

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 [Y641F] (Homo sapiens (Human))	BDBM172069 (US10155002, Compound 75 | US11052093, Compound 75 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C35H46N4O3/c1-5-39(30-13-17-42-18-14-30)33-21-29(28-11-9-27(10-12-28)23-38-15-7-6-8-16-38)20-31(26(33)4)34(40)36-22-32-24(2)19-25(3)37-35(32)41/h9-12,19-21,30H,5-8,13-18,22-23H2,1-4H3,(H,36,40)(H,37,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.48	n/a	n/a	n/a	n/a	n/a	25
Epizyme, Inc. US Patent					Assay Description The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....				US Patent US9090562 (2015) BindingDB Entry DOI: 10.7270/Q2057DPX
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 [Y641F] (Homo sapiens (Human))	BDBM172069 (US10155002, Compound 75 | US11052093, Compound 75 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C35H46N4O3/c1-5-39(30-13-17-42-18-14-30)33-21-29(28-11-9-27(10-12-28)23-38-15-7-6-8-16-38)20-31(26(33)4)34(40)36-22-32-24(2)19-25(3)37-35(32)41/h9-12,19-21,30H,5-8,13-18,22-23H2,1-4H3,(H,36,40)(H,37,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....				Citation and Details BindingDB Entry DOI: 10.7270/Q2SB48WP
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 [Y641F] (Homo sapiens (Human))	BDBM172069 (US10155002, Compound 75 | US11052093, Compound 75 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCCCC2)cc1 Show InChI InChI=1S/C35H46N4O3/c1-5-39(30-13-17-42-18-14-30)33-21-29(28-11-9-27(10-12-28)23-38-15-7-6-8-16-38)20-31(26(33)4)34(40)36-22-32-24(2)19-25(3)37-35(32)41/h9-12,19-21,30H,5-8,13-18,22-23H2,1-4H3,(H,36,40)(H,37,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.48	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....				US Patent US10155002 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TM3
					More data for this Ligand-Target Pair