BDBM451088 N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-::US10676479, Example 118

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(-c3ncco3)c12

InChI Key: InChIKey=HCKCPOSCZKRALI-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 451088   

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))	BDBM451088 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(-c3ncco3)c12 Show InChI InChI=1S/C25H20FN5O4S/c1-36(32,33)16-4-2-15(3-5-16)18-12-28-25(31-14-30-22(23(18)31)24-27-9-11-35-24)29-13-19-17-8-10-34-21(17)7-6-20(19)26/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	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))	BDBM451088 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(-c3ncco3)c12 Show InChI InChI=1S/C25H20FN5O4S/c1-36(32,33)16-4-2-15(3-5-16)18-12-28-25(31-14-30-22(23(18)31)24-27-9-11-35-24)29-13-19-17-8-10-34-21(17)7-6-20(19)26/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	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))	BDBM451088 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(-c3ncco3)c12 Show InChI InChI=1S/C25H20FN5O4S/c1-36(32,33)16-4-2-15(3-5-16)18-12-28-25(31-14-30-22(23(18)31)24-27-9-11-35-24)29-13-19-17-8-10-34-21(17)7-6-20(19)26/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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