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 = 'BDBM451064'   

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))	BDBM451064 (US10676479, Example 94 | ethyl 8-(2,4-dimethylpyri...) Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cnc(C)nc3C)c12 Show InChI InChI=1S/C24H23FN6O3/c1-4-33-23(32)21-22-18(16-9-26-14(3)30-13(16)2)11-28-24(31(22)12-29-21)27-10-17-15-7-8-34-20(15)6-5-19(17)25/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	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))	BDBM451064 (US10676479, Example 94 | ethyl 8-(2,4-dimethylpyri...) Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cnc(C)nc3C)c12 Show InChI InChI=1S/C24H23FN6O3/c1-4-33-23(32)21-22-18(16-9-26-14(3)30-13(16)2)11-28-24(31(22)12-29-21)27-10-17-15-7-8-34-20(15)6-5-19(17)25/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	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))	BDBM451064 (US10676479, Example 94 | ethyl 8-(2,4-dimethylpyri...) Show SMILES CCOC(=O)c1ncn2c(NCc3c4CCOc4ccc3F)ncc(-c3cnc(C)nc3C)c12 Show InChI InChI=1S/C24H23FN6O3/c1-4-33-23(32)21-22-18(16-9-26-14(3)30-13(16)2)11-28-24(31(22)12-29-21)27-10-17-15-7-8-34-20(15)6-5-19(17)25/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	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) BindingDB Entry DOI: 10.7270/Q2TQ64M9
					More data for this Ligand-Target Pair