BDBM451048 5-(((5-fluoro-2,3-dihydrobenzofuran-4-::US10676479, Example 78

SMILES: OCc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12

InChI Key: InChIKey=ZSHHZNJRMAKUIK-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 = 451048   

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
Polycomb Repressive Complex 2 (PRC2) (Homo sapiens (Human))	BDBM451048 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES OCc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C22H17FN6O2/c23-17-3-4-20-14(5-7-31-20)15(17)9-26-22-27-10-16(13-2-1-6-25-19(13)11-30)21-18(8-24)28-12-29(21)22/h1-4,6,10,12,30H,5,7,9,11H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	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
Polycomb Repressive Complex 2 (PRC2) (Homo sapiens (Human))	BDBM451048 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES OCc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C22H17FN6O2/c23-17-3-4-20-14(5-7-31-20)15(17)9-26-22-27-10-16(13-2-1-6-25-19(13)11-30)21-18(8-24)28-12-29(21)22/h1-4,6,10,12,30H,5,7,9,11H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.9	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
Polycomb Repressive Complex 2 (PRC2) (Homo sapiens (Human))	BDBM451048 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES OCc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C22H17FN6O2/c23-17-3-4-20-14(5-7-31-20)15(17)9-26-22-27-10-16(13-2-1-6-25-19(13)11-30)21-18(8-24)28-12-29(21)22/h1-4,6,10,12,30H,5,7,9,11H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.2	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