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 = 'BDBM451021'   

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))	BDBM451021 (8-(2-(difluoromethyl)pyridin-3-yl)-N-((5-fluoro- |...) Show SMILES FC(F)c1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cncc12 Show InChI InChI=1S/C21H16F3N5O/c22-16-3-4-18-12(5-7-30-18)14(16)8-27-21-28-9-15(17-10-25-11-29(17)21)13-2-1-6-26-19(13)20(23)24/h1-4,6,9-11,20H,5,7-8H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	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))	BDBM451021 (8-(2-(difluoromethyl)pyridin-3-yl)-N-((5-fluoro- |...) Show SMILES FC(F)c1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cncc12 Show InChI InChI=1S/C21H16F3N5O/c22-16-3-4-18-12(5-7-30-18)14(16)8-27-21-28-9-15(17-10-25-11-29(17)21)13-2-1-6-26-19(13)20(23)24/h1-4,6,9-11,20H,5,7-8H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	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))	BDBM451021 (8-(2-(difluoromethyl)pyridin-3-yl)-N-((5-fluoro- |...) Show SMILES FC(F)c1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cncc12 Show InChI InChI=1S/C21H16F3N5O/c22-16-3-4-18-12(5-7-30-18)14(16)8-27-21-28-9-15(17-10-25-11-29(17)21)13-2-1-6-26-19(13)20(23)24/h1-4,6,9-11,20H,5,7-8H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.40	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