null

SMILES: CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3C(F)F)c12

InChI Key: InChIKey=XAYWQJNGHASKNL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 450981   

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))	BDBM450981 (8-(2-(Difluoromethyl)pyridin-3-yl)-N-((5-fluoro-2,...) Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3C(F)F)c12 Show InChI InChI=1S/C22H18F3N5O3S/c1-34(31,32)21-19-15(13-3-2-7-26-18(13)20(24)25)10-28-22(30(19)11-29-21)27-9-14-12-6-8-33-17(12)5-4-16(14)23/h2-5,7,10-11,20H,6,8-9H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	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))	BDBM450981 (8-(2-(Difluoromethyl)pyridin-3-yl)-N-((5-fluoro-2,...) Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3C(F)F)c12 Show InChI InChI=1S/C22H18F3N5O3S/c1-34(31,32)21-19-15(13-3-2-7-26-18(13)20(24)25)10-28-22(30(19)11-29-21)27-9-14-12-6-8-33-17(12)5-4-16(14)23/h2-5,7,10-11,20H,6,8-9H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	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))	BDBM450981 (8-(2-(Difluoromethyl)pyridin-3-yl)-N-((5-fluoro-2,...) Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3C(F)F)c12 Show InChI InChI=1S/C22H18F3N5O3S/c1-34(31,32)21-19-15(13-3-2-7-26-18(13)20(24)25)10-28-22(30(19)11-29-21)27-9-14-12-6-8-33-17(12)5-4-16(14)23/h2-5,7,10-11,20H,6,8-9H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.70	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