BDBM277778 5-(4-((3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-1,3,5-triazin-2-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)benzonitrile::US10040781, Example 4::US10253019, Example 4

SMILES: COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(C)CC1

InChI Key: InChIKey=BKKWWJKCPMKOOZ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 277778   

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
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277778 (5-(4-((3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C27H31N7O3/c1-33-9-11-34(12-10-33)23-5-4-21(16-25(23)35-2)31-27-30-18-29-26(32-27)19-3-6-24(20(15-19)17-28)37-22-7-13-36-14-8-22/h3-6,15-16,18,22H,7-14H2,1-2H3,(H,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10040781 (2018) BindingDB Entry DOI: 10.7270/Q22V2J41
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277778 (5-(4-((3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C27H31N7O3/c1-33-9-11-34(12-10-33)23-5-4-21(16-25(23)35-2)31-27-30-18-29-26(32-27)19-3-6-24(20(15-19)17-28)37-22-7-13-36-14-8-22/h3-6,15-16,18,22H,7-14H2,1-2H3,(H,29,30,31,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.0	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				US Patent US10040781 (2018) BindingDB Entry DOI: 10.7270/Q22V2J41
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277778 (5-(4-((3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C27H31N7O3/c1-33-9-11-34(12-10-33)23-5-4-21(16-25(23)35-2)31-27-30-18-29-26(32-27)19-3-6-24(20(15-19)17-28)37-22-7-13-36-14-8-22/h3-6,15-16,18,22H,7-14H2,1-2H3,(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Rome La Sapienza					Assay Description Enzymatic activity of hJAK2 was measured using a LANCE homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that monitors...				J Med Chem 50: 6554-69 (2007) BindingDB Entry DOI: 10.7270/Q2Q52RXT
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM277778 (5-(4-((3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C27H31N7O3/c1-33-9-11-34(12-10-33)23-5-4-21(16-25(23)35-2)31-27-30-18-29-26(32-27)19-3-6-24(20(15-19)17-28)37-22-7-13-36-14-8-22/h3-6,15-16,18,22H,7-14H2,1-2H3,(H,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Rome La Sapienza					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				J Med Chem 50: 6554-69 (2007) BindingDB Entry DOI: 10.7270/Q2Q52RXT
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM277778 (5-(4-((3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C27H31N7O3/c1-33-9-11-34(12-10-33)23-5-4-21(16-25(23)35-2)31-27-30-18-29-26(32-27)19-3-6-24(20(15-19)17-28)37-22-7-13-36-14-8-22/h3-6,15-16,18,22H,7-14H2,1-2H3,(H,29,30,31,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Rome La Sapienza					Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m...				J Med Chem 50: 6554-69 (2007) BindingDB Entry DOI: 10.7270/Q2Q52RXT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM277778 (5-(4-((3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)...) Show SMILES COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C27H31N7O3/c1-33-9-11-34(12-10-33)23-5-4-21(16-25(23)35-2)31-27-30-18-29-26(32-27)19-3-6-24(20(15-19)17-28)37-22-7-13-36-14-8-22/h3-6,15-16,18,22H,7-14H2,1-2H3,(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	7.5	n/a
Gilead Sciences, Inc. US Patent					Assay Description Enzymatic activity of hJAK2 was measured using a LANCE homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that monitors...				US Patent US10040781 (2018) BindingDB Entry DOI: 10.7270/Q22V2J41
					More data for this Ligand-Target Pair