BDBM451046 5-(((5-fluoro-2,3-dihydrobenzofuran-4-::US10676479, Example 76

SMILES: CC(N1CCCC1)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12

InChI Key: InChIKey=KUSODWXIHYMVMQ-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 = 451046   

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))	BDBM451046 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C28H27FN6O/c1-18(34-11-2-3-12-34)19-4-6-20(7-5-19)22-15-31-28(35-17-33-25(14-30)27(22)35)32-16-23-21-10-13-36-26(21)9-8-24(23)29/h4-9,15,17-18H,2-3,10-13,16H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	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))	BDBM451046 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C28H27FN6O/c1-18(34-11-2-3-12-34)19-4-6-20(7-5-19)22-15-31-28(35-17-33-25(14-30)27(22)35)32-16-23-21-10-13-36-26(21)9-8-24(23)29/h4-9,15,17-18H,2-3,10-13,16H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	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))	BDBM451046 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C28H27FN6O/c1-18(34-11-2-3-12-34)19-4-6-20(7-5-19)22-15-31-28(35-17-33-25(14-30)27(22)35)32-16-23-21-10-13-36-26(21)9-8-24(23)29/h4-9,15,17-18H,2-3,10-13,16H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.3	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