BDBM451051 8-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)-5-(((5-::US10676479, Example 81

SMILES: CCN1CCN(CC1)c1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12

InChI Key: InChIKey=VAISVTUAPAKOSV-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 451051   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM451051 (8-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)-5-(((5- ...) Show SMILES CCN1CCN(CC1)c1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C27H27FN8O/c1-2-34-8-10-35(11-9-34)25-6-3-18(14-30-25)20-15-31-27(36-17-33-23(13-29)26(20)36)32-16-21-19-7-12-37-24(19)5-4-22(21)28/h3-6,14-15,17H,2,7-12,16H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.9	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)
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451051 (8-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)-5-(((5- ...) Show SMILES CCN1CCN(CC1)c1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C27H27FN8O/c1-2-34-8-10-35(11-9-34)25-6-3-18(14-30-25)20-15-31-27(36-17-33-23(13-29)26(20)36)32-16-21-19-7-12-37-24(19)5-4-22(21)28/h3-6,14-15,17H,2,7-12,16H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.8	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)
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 (Homo sapiens (Human))	BDBM451051 (8-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)-5-(((5- ...) Show SMILES CCN1CCN(CC1)c1ccc(cn1)-c1cnc(NCc2c3CCOc3ccc2F)n2cnc(C#N)c12 Show InChI InChI=1S/C27H27FN8O/c1-2-34-8-10-35(11-9-34)25-6-3-18(14-30-25)20-15-31-27(36-17-33-23(13-29)26(20)36)32-16-21-19-7-12-37-24(19)5-4-22(21)28/h3-6,14-15,17H,2,7-12,16H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35.1	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)
					More data for this Ligand-Target Pair