Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2' and Ligand = 'BDBM172183'   

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))	BDBM172183 (US10155002, Compound 191 | US11052093, Compound 19...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)nc1 Show InChI InChI=1S/C35H47N5O4/c1-5-7-26-18-24(3)38-35(42)32(26)22-37-34(41)31-19-28(20-33(25(31)4)40(6-2)30-10-14-43-15-11-30)27-8-9-29(36-21-27)23-39-12-16-44-17-13-39/h8-9,18-21,30H,5-7,10-17,22-23H2,1-4H3,(H,37,41)(H,38,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.84	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 (Homo sapiens (Human))	BDBM172183 (US10155002, Compound 191 | US11052093, Compound 19...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)nc1 Show InChI InChI=1S/C35H47N5O4/c1-5-7-26-18-24(3)38-35(42)32(26)22-37-34(41)31-19-28(20-33(25(31)4)40(6-2)30-10-14-43-15-11-30)27-8-9-29(36-21-27)23-39-12-16-44-17-13-39/h8-9,18-21,30H,5-7,10-17,22-23H2,1-4H3,(H,37,41)(H,38,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.84	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 (Homo sapiens (Human))	BDBM172183 (US10155002, Compound 191 | US11052093, Compound 19...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)nc1 Show InChI InChI=1S/C35H47N5O4/c1-5-7-26-18-24(3)38-35(42)32(26)22-37-34(41)31-19-28(20-33(25(31)4)40(6-2)30-10-14-43-15-11-30)27-8-9-29(36-21-27)23-39-12-16-44-17-13-39/h8-9,18-21,30H,5-7,10-17,22-23H2,1-4H3,(H,37,41)(H,38,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.84	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