Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2 [Y641F]' and Ligand = 'BDBM172177'   

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))	BDBM172177 (US10155002, Compound 185 | US11052093, Compound 18...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(cc(C)[nH]c2=O)C(C)C)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C34H46N6O3/c1-6-40(27-9-15-43-16-10-27)31-19-26(25-7-8-32(36-20-25)39-13-11-35-12-14-39)18-29(24(31)5)33(41)37-21-30-28(22(2)3)17-23(4)38-34(30)42/h7-8,17-20,22,27,35H,6,9-16,21H2,1-5H3,(H,37,41)(H,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.74	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))	BDBM172177 (US10155002, Compound 185 | US11052093, Compound 18...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(cc(C)[nH]c2=O)C(C)C)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C34H46N6O3/c1-6-40(27-9-15-43-16-10-27)31-19-26(25-7-8-32(36-20-25)39-13-11-35-12-14-39)18-29(24(31)5)33(41)37-21-30-28(22(2)3)17-23(4)38-34(30)42/h7-8,17-20,22,27,35H,6,9-16,21H2,1-5H3,(H,37,41)(H,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.74	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))	BDBM172177 (US10155002, Compound 185 | US11052093, Compound 18...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(cc(C)[nH]c2=O)C(C)C)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C34H46N6O3/c1-6-40(27-9-15-43-16-10-27)31-19-26(25-7-8-32(36-20-25)39-13-11-35-12-14-39)18-29(24(31)5)33(41)37-21-30-28(22(2)3)17-23(4)38-34(30)42/h7-8,17-20,22,27,35H,6,9-16,21H2,1-5H3,(H,37,41)(H,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.74	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