BDBM291693 8-(2-Cyclopropyl-4-methylpyrimidin-5-yl)-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine::US9580437, Example 8

SMILES: Cc1nc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C1CC1

InChI Key: InChIKey=TXRLRLBNYXSZGD-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 = 291693   

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))	BDBM291693 (8-(2-Cyclopropyl-4-methylpyrimidin-5-yl)-N-((5-flu...) Show SMILES Cc1nc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C1CC1 Show InChI InChI=1S/C22H20FN7O/c1-12-15(8-24-20(28-12)13-2-3-13)17-10-26-22(30-11-27-29-21(17)30)25-9-16-14-6-7-31-19(14)5-4-18(16)23/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	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
Polycomb Repressive Complex 2 (PRC2) (Homo sapiens (Human))	BDBM291693 (8-(2-Cyclopropyl-4-methylpyrimidin-5-yl)-N-((5-flu...) Show SMILES Cc1nc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C1CC1 Show InChI InChI=1S/C22H20FN7O/c1-12-15(8-24-20(28-12)13-2-3-13)17-10-26-22(30-11-27-29-21(17)30)25-9-16-14-6-7-31-19(14)5-4-18(16)23/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	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 protein EED (Homo sapiens (Human))	BDBM291693 (8-(2-Cyclopropyl-4-methylpyrimidin-5-yl)-N-((5-flu...) Show SMILES Cc1nc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C1CC1 Show InChI InChI=1S/C22H20FN7O/c1-12-15(8-24-20(28-12)13-2-3-13)17-10-26-22(30-11-27-29-21(17)30)25-9-16-14-6-7-31-19(14)5-4-18(16)23/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.90	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))	BDBM291693 (8-(2-Cyclopropyl-4-methylpyrimidin-5-yl)-N-((5-flu...) Show SMILES Cc1nc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C1CC1 Show InChI InChI=1S/C22H20FN7O/c1-12-15(8-24-20(28-12)13-2-3-13)17-10-26-22(30-11-27-29-21(17)30)25-9-16-14-6-7-31-19(14)5-4-18(16)23/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.90	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))	BDBM291693 (8-(2-Cyclopropyl-4-methylpyrimidin-5-yl)-N-((5-flu...) Show SMILES Cc1nc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C1CC1 Show InChI InChI=1S/C22H20FN7O/c1-12-15(8-24-20(28-12)13-2-3-13)17-10-26-22(30-11-27-29-21(17)30)25-9-16-14-6-7-31-19(14)5-4-18(16)23/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.20	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))	BDBM291693 (8-(2-Cyclopropyl-4-methylpyrimidin-5-yl)-N-((5-flu...) Show SMILES Cc1nc(ncc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12)C1CC1 Show InChI InChI=1S/C22H20FN7O/c1-12-15(8-24-20(28-12)13-2-3-13)17-10-26-22(30-11-27-29-21(17)30)25-9-16-14-6-7-31-19(14)5-4-18(16)23/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	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