Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12' and Ligand = 'BDBM450980'   

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))	BDBM450980 (1-Ethynyl-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)...) Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C22H17FN6O/c1-13-14(3-2-7-25-13)17-11-27-22(29-12-28-19(9-24)21(17)29)26-10-16-15-6-8-30-20(15)5-4-18(16)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	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))	BDBM450980 (1-Ethynyl-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)...) Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C22H17FN6O/c1-13-14(3-2-7-25-13)17-11-27-22(29-12-28-19(9-24)21(17)29)26-10-16-15-6-8-30-20(15)5-4-18(16)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	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))	BDBM450980 (1-Ethynyl-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)...) Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C22H17FN6O/c1-13-14(3-2-7-25-13)17-11-27-22(29-12-28-19(9-24)21(17)29)26-10-16-15-6-8-30-20(15)5-4-18(16)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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))	BDBM450980 (1-Ethynyl-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)...) Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C22H17FN6O/c1-13-14(3-2-7-25-13)17-11-27-22(29-12-28-19(9-24)21(17)29)26-10-16-15-6-8-30-20(15)5-4-18(16)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.1	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))	BDBM450980 (1-Ethynyl-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)...) Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C22H17FN6O/c1-13-14(3-2-7-25-13)17-11-27-22(29-12-28-19(9-24)21(17)29)26-10-16-15-6-8-30-20(15)5-4-18(16)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.7	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))	BDBM450980 (1-Ethynyl-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)...) Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C22H17FN6O/c1-13-14(3-2-7-25-13)17-11-27-22(29-12-28-19(9-24)21(17)29)26-10-16-15-6-8-30-20(15)5-4-18(16)23/h2-5,7,11-12H,6,8,10H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	48.9	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