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SMILES: Cn1cncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12

InChI Key: InChIKey=SWCUAUVZXOKFQG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 451055   

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))	BDBM451055 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES Cn1cncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C20H16FN7O/c1-27-10-23-9-17(27)14-8-25-20(28-11-26-16(6-22)19(14)28)24-7-13-12-4-5-29-18(12)3-2-15(13)21/h2-3,8-11H,4-5,7H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	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))	BDBM451055 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES Cn1cncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C20H16FN7O/c1-27-10-23-9-17(27)14-8-25-20(28-11-26-16(6-22)19(14)28)24-7-13-12-4-5-29-18(12)3-2-15(13)21/h2-3,8-11H,4-5,7H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	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))	BDBM451055 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES Cn1cncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C20H16FN7O/c1-27-10-23-9-17(27)14-8-25-20(28-11-26-16(6-22)19(14)28)24-7-13-12-4-5-29-18(12)3-2-15(13)21/h2-3,8-11H,4-5,7H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.2	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