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SMILES: Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12

InChI Key: InChIKey=DGNBZQIVGFSZMN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 450969   

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))	BDBM450969 (5-(((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)am...) Show SMILES Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C20H16FN7O/c1-12-9-27(10-25-12)17-8-24-20(28-11-26-16(6-22)19(17)28)23-7-14-13-4-5-29-18(13)3-2-15(14)21/h2-3,8-11H,4-5,7H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	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))	BDBM450969 (5-(((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)am...) Show SMILES Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C20H16FN7O/c1-12-9-27(10-25-12)17-8-24-20(28-11-26-16(6-22)19(17)28)23-7-14-13-4-5-29-18(13)3-2-15(14)21/h2-3,8-11H,4-5,7H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	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))	BDBM450969 (5-(((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)am...) Show SMILES Cc1cn(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C20H16FN7O/c1-12-9-27(10-25-12)17-8-24-20(28-11-26-16(6-22)19(17)28)23-7-14-13-4-5-29-18(13)3-2-15(14)21/h2-3,8-11H,4-5,7H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	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