BDBM291860 N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-(2-methoxy-4-methylpyrimidin-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine::US9580437, Example 175

SMILES: COc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12

InChI Key: InChIKey=UMZWZXQROIKLCJ-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 6 hits for monomerid = 291860   

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))	BDBM291860 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES COc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H18FN7O2/c1-11-13(7-24-20(26-11)29-2)15-9-23-19(28-10-25-27-18(15)28)22-8-14-12-5-6-30-17(12)4-3-16(14)21/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	8.0	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 of tw...				US Patent US9580437 (2017) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2) (Homo sapiens (Human))	BDBM291860 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES COc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H18FN7O2/c1-11-13(7-24-20(26-11)29-2)15-9-23-19(28-10-25-27-18(15)28)22-8-14-12-5-6-30-17(12)4-3-16(14)21/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.20	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...				US Patent US9580437 (2017) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM291860 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES COc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H18FN7O2/c1-11-13(7-24-20(26-11)29-2)15-9-23-19(28-10-25-27-18(15)28)22-8-14-12-5-6-30-17(12)4-3-16(14)21/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM291860 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES COc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H18FN7O2/c1-11-13(7-24-20(26-11)29-2)15-9-23-19(28-10-25-27-18(15)28)22-8-14-12-5-6-30-17(12)4-3-16(14)21/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM291860 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES COc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H18FN7O2/c1-11-13(7-24-20(26-11)29-2)15-9-23-19(28-10-25-27-18(15)28)22-8-14-12-5-6-30-17(12)4-3-16(14)21/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polycomb Repressive Complex 2 (PRC2) (Homo sapiens (Human))	BDBM291860 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES COc1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C20H18FN7O2/c1-11-13(7-24-20(26-11)29-2)15-9-23-19(28-10-25-27-18(15)28)22-8-14-12-5-6-30-17(12)4-3-16(14)21/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...				US Patent US9580437 (2017) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair