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 = 'BDBM451053'   

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))	BDBM451053 (8-(2-(3,5-dimethylpiperazin-1-yl)-4- | US10676479,...) Show SMILES CC1CN(CC(C)N1)c1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C27H28FN9O/c1-15-12-36(13-16(2)34-15)27-32-9-19(17(3)35-27)21-11-31-26(37-14-33-23(8-29)25(21)37)30-10-20-18-6-7-38-24(18)5-4-22(20)28/h4-5,9,11,14-16,34H,6-7,10,12-13H2,1-3H3,(H,30,31)	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 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))	BDBM451053 (8-(2-(3,5-dimethylpiperazin-1-yl)-4- | US10676479,...) Show SMILES CC1CN(CC(C)N1)c1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C27H28FN9O/c1-15-12-36(13-16(2)34-15)27-32-9-19(17(3)35-27)21-11-31-26(37-14-33-23(8-29)25(21)37)30-10-20-18-6-7-38-24(18)5-4-22(20)28/h4-5,9,11,14-16,34H,6-7,10,12-13H2,1-3H3,(H,30,31)	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
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451053 (8-(2-(3,5-dimethylpiperazin-1-yl)-4- | US10676479,...) Show SMILES CC1CN(CC(C)N1)c1ncc(c(C)n1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C27H28FN9O/c1-15-12-36(13-16(2)34-15)27-32-9-19(17(3)35-27)21-11-31-26(37-14-33-23(8-29)25(21)37)30-10-20-18-6-7-38-24(18)5-4-22(20)28/h4-5,9,11,14-16,34H,6-7,10,12-13H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.1	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