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 = 'BDBM291867'   

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))	BDBM291867 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES Cc1c(CF)nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C21H18F2N6O/c1-12-13(4-6-24-18(12)8-22)16-10-26-21(29-11-27-28-20(16)29)25-9-15-14-5-7-30-19(14)3-2-17(15)23/h2-4,6,10-11H,5,7-9H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...				US Patent US9580437 (2017) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291867 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES Cc1c(CF)nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C21H18F2N6O/c1-12-13(4-6-24-18(12)8-22)16-10-26-21(29-11-27-28-20(16)29)25-9-15-14-5-7-30-19(14)3-2-17(15)23/h2-4,6,10-11H,5,7-9H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	8.0	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 of tw...				US Patent US9580437 (2017) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM291867 (N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...) Show SMILES Cc1c(CF)nccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12 Show InChI InChI=1S/C21H18F2N6O/c1-12-13(4-6-24-18(12)8-22)16-10-26-21(29-11-27-28-20(16)29)25-9-15-14-5-7-30-19(14)3-2-17(15)23/h2-4,6,10-11H,5,7-9H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...				US Patent US9580437 (2017) BindingDB Entry DOI: 10.7270/Q24T6MD7
					More data for this Ligand-Target Pair