Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12' and Ligand = 'BDBM451058'   

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/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451058 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES Cc1nn(CCO)c(C)c1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 |(-3.1,-2.88,;-3.49,-1.39,;-4.96,-.92,;-4.96,.62,;-6.29,1.39,;-7.63,.62,;-8.96,1.39,;-3.49,1.1,;-3.1,2.58,;-2.59,-.15,;-1.05,-.15,;-.28,1.18,;1.26,1.18,;2.03,-.15,;3.57,-.15,;4.34,1.18,;5.88,1.18,;6.65,-.15,;6.17,-1.61,;7.42,-2.52,;8.67,-1.61,;8.19,-.15,;8.96,1.18,;8.19,2.52,;6.65,2.52,;5.88,3.85,;1.26,-1.48,;1.74,-2.95,;.49,-3.85,;-.76,-2.95,;-2.24,-3.35,;-3.73,-3.74,;-.28,-1.48,)| Show InChI InChI=1S/C23H22FN7O2/c1-13-21(14(2)31(29-13)6-7-32)17-11-27-23(30-12-28-19(9-25)22(17)30)26-10-16-15-5-8-33-20(15)4-3-18(16)24/h3-4,11-12,32H,5-8,10H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description To assess the compounds' potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total ...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451058 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES Cc1nn(CCO)c(C)c1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 |(-3.1,-2.88,;-3.49,-1.39,;-4.96,-.92,;-4.96,.62,;-6.29,1.39,;-7.63,.62,;-8.96,1.39,;-3.49,1.1,;-3.1,2.58,;-2.59,-.15,;-1.05,-.15,;-.28,1.18,;1.26,1.18,;2.03,-.15,;3.57,-.15,;4.34,1.18,;5.88,1.18,;6.65,-.15,;6.17,-1.61,;7.42,-2.52,;8.67,-1.61,;8.19,-.15,;8.96,1.18,;8.19,2.52,;6.65,2.52,;5.88,3.85,;1.26,-1.48,;1.74,-2.95,;.49,-3.85,;-.76,-2.95,;-2.24,-3.35,;-3.73,-3.74,;-.28,-1.48,)| Show InChI InChI=1S/C23H22FN7O2/c1-13-21(14(2)31(29-13)6-7-32)17-11-27-23(30-12-28-19(9-25)22(17)30)26-10-16-15-5-8-33-20(15)4-3-18(16)24/h3-4,11-12,32H,5-8,10H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451058 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES Cc1nn(CCO)c(C)c1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 |(-3.1,-2.88,;-3.49,-1.39,;-4.96,-.92,;-4.96,.62,;-6.29,1.39,;-7.63,.62,;-8.96,1.39,;-3.49,1.1,;-3.1,2.58,;-2.59,-.15,;-1.05,-.15,;-.28,1.18,;1.26,1.18,;2.03,-.15,;3.57,-.15,;4.34,1.18,;5.88,1.18,;6.65,-.15,;6.17,-1.61,;7.42,-2.52,;8.67,-1.61,;8.19,-.15,;8.96,1.18,;8.19,2.52,;6.65,2.52,;5.88,3.85,;1.26,-1.48,;1.74,-2.95,;.49,-3.85,;-.76,-2.95,;-2.24,-3.35,;-3.73,-3.74,;-.28,-1.48,)| Show InChI InChI=1S/C23H22FN7O2/c1-13-21(14(2)31(29-13)6-7-32)17-11-27-23(30-12-28-19(9-25)22(17)30)26-10-16-15-5-8-33-20(15)4-3-18(16)24/h3-4,11-12,32H,5-8,10H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present invention were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentrat...				US Patent US10676479 (2020) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair