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SMILES: Cc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12

InChI Key: InChIKey=IIIOCCSATMOANP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 450873   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM450873 (8-(2,4-dimethylpyrimidin-5-yl)-5-(((5-fluoro-2,3-d...) Show SMILES Cc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C22H18FN7O/c1-12-15(8-25-13(2)29-12)17-10-27-22(30-11-28-19(7-24)21(17)30)26-9-16-14-5-6-31-20(14)4-3-18(16)23/h3-4,8,10-11H,5-6,9H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	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)
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM450873 (8-(2,4-dimethylpyrimidin-5-yl)-5-(((5-fluoro-2,3-d...) Show SMILES Cc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C22H18FN7O/c1-12-15(8-25-13(2)29-12)17-10-27-22(30-11-28-19(7-24)21(17)30)26-9-16-14-5-6-31-20(14)4-3-18(16)23/h3-4,8,10-11H,5-6,9H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.2	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)
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM450873 (8-(2,4-dimethylpyrimidin-5-yl)-5-(((5-fluoro-2,3-d...) Show SMILES Cc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C22H18FN7O/c1-12-15(8-25-13(2)29-12)17-10-27-22(30-11-28-19(7-24)21(17)30)26-9-16-14-5-6-31-20(14)4-3-18(16)23/h3-4,8,10-11H,5-6,9H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	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)
					More data for this Ligand-Target Pair