Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12' and Ligand = 'BDBM451072'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM451072 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...) Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3)c12 Show InChI InChI=1S/C21H18FN5O3S/c1-31(28,29)20-19-15(13-3-2-7-23-9-13)10-24-21(27(19)12-26-20)25-11-16-14-6-8-30-18(14)5-4-17(16)22/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451072 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...) Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3)c12 Show InChI InChI=1S/C21H18FN5O3S/c1-31(28,29)20-19-15(13-3-2-7-23-9-13)10-24-21(27(19)12-26-20)25-11-16-14-6-8-30-18(14)5-4-17(16)22/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	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) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451072 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)- |...) Show SMILES CS(=O)(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cccnc3)c12 Show InChI InChI=1S/C21H18FN5O3S/c1-31(28,29)20-19-15(13-3-2-7-23-9-13)10-24-21(27(19)12-26-20)25-11-16-14-6-8-30-18(14)5-4-17(16)22/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair