BDBM451056 5-(((5-fluoro-2,3-dihydrobenzofuran-4-::US10676479, Example 86

SMILES: Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)N2CCNCC2)c2c(ncn12)C#N

InChI Key: InChIKey=IFVFSVNBFOUDSB-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 = 451056   

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))	BDBM451056 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)N2CCNCC2)c2c(ncn12)C#N Show InChI InChI=1S/C25H23FN8O/c26-20-2-3-22-17(5-10-35-22)19(20)14-31-25-30-13-18(24-21(11-27)32-15-34(24)25)16-1-4-23(29-12-16)33-8-6-28-7-9-33/h1-4,12-13,15,28H,5-10,14H2,(H,30,31)	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))	BDBM451056 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)N2CCNCC2)c2c(ncn12)C#N Show InChI InChI=1S/C25H23FN8O/c26-20-2-3-22-17(5-10-35-22)19(20)14-31-25-30-13-18(24-21(11-27)32-15-34(24)25)16-1-4-23(29-12-16)33-8-6-28-7-9-33/h1-4,12-13,15,28H,5-10,14H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451056 (5-(((5-fluoro-2,3-dihydrobenzofuran-4- | US1067647...) Show SMILES Fc1ccc2OCCc2c1CNc1ncc(-c2ccc(nc2)N2CCNCC2)c2c(ncn12)C#N Show InChI InChI=1S/C25H23FN8O/c26-20-2-3-22-17(5-10-35-22)19(20)14-31-25-30-13-18(24-21(11-27)32-15-34(24)25)16-1-4-23(29-12-16)33-8-6-28-7-9-33/h1-4,12-13,15,28H,5-10,14H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.6	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