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 = 'BDBM451025'   

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))	BDBM451025 (8-(4-(azetidin-1-ylmethyl)phenyl)-N-((5-fluoro- | ...) Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(CN3CCC3)cc2)c2cncn12 Show InChI InChI=1S/C25H24FN5O/c26-22-6-7-24-19(8-11-32-24)21(22)13-29-25-28-12-20(23-14-27-16-31(23)25)18-4-2-17(3-5-18)15-30-9-1-10-30/h2-7,12,14,16H,1,8-11,13,15H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	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))	BDBM451025 (8-(4-(azetidin-1-ylmethyl)phenyl)-N-((5-fluoro- | ...) Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(CN3CCC3)cc2)c2cncn12 Show InChI InChI=1S/C25H24FN5O/c26-22-6-7-24-19(8-11-32-24)21(22)13-29-25-28-12-20(23-14-27-16-31(23)25)18-4-2-17(3-5-18)15-30-9-1-10-30/h2-7,12,14,16H,1,8-11,13,15H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	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))	BDBM451025 (8-(4-(azetidin-1-ylmethyl)phenyl)-N-((5-fluoro- | ...) Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(CN3CCC3)cc2)c2cncn12 Show InChI InChI=1S/C25H24FN5O/c26-22-6-7-24-19(8-11-32-24)21(22)13-29-25-28-12-20(23-14-27-16-31(23)25)18-4-2-17(3-5-18)15-30-9-1-10-30/h2-7,12,14,16H,1,8-11,13,15H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37.4	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