BDBM278074 2-(((3R,4S)-3-fluoro-1-formylpiperidin-4-yl)oxy)-5-(4-((3-fluoro-4-(piperazin-1-yl)phenyl)amino)-1,3,5-triazin-2-yl)benzonitrile::US10040781, Example 296::US10253019, Example 296

SMILES: F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCNCC3)c(F)c2)n1)C=O

InChI Key: InChIKey=XIBSPXSQCNVPPC-QPPBQGQZSA-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 = 278074   

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
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM278074 (2-(((3R,4S)-3-fluoro-1-formylpiperidin-4-yl)oxy)-5...) Show SMILES F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCNCC3)c(F)c2)n1)C=O |r| Show InChI InChI=1S/C26H26F2N8O2/c27-20-12-19(2-3-22(20)36-9-6-30-7-10-36)33-26-32-15-31-25(34-26)17-1-4-23(18(11-17)13-29)38-24-5-8-35(16-37)14-21(24)28/h1-4,11-12,15-16,21,24,30H,5-10,14H2,(H,31,32,33,34)/t21-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+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))	BDBM278074 (2-(((3R,4S)-3-fluoro-1-formylpiperidin-4-yl)oxy)-5...) Show SMILES F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCNCC3)c(F)c2)n1)C=O |r| Show InChI InChI=1S/C26H26F2N8O2/c27-20-12-19(2-3-22(20)36-9-6-30-7-10-36)33-26-32-15-31-25(34-26)17-1-4-23(18(11-17)13-29)38-24-5-8-35(16-37)14-21(24)28/h1-4,11-12,15-16,21,24,30H,5-10,14H2,(H,31,32,33,34)/t21-,24+/m1/s1	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))	BDBM278074 (2-(((3R,4S)-3-fluoro-1-formylpiperidin-4-yl)oxy)-5...) Show SMILES F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCNCC3)c(F)c2)n1)C=O |r| Show InChI InChI=1S/C26H26F2N8O2/c27-20-12-19(2-3-22(20)36-9-6-30-7-10-36)33-26-32-15-31-25(34-26)17-1-4-23(18(11-17)13-29)38-24-5-8-35(16-37)14-21(24)28/h1-4,11-12,15-16,21,24,30H,5-10,14H2,(H,31,32,33,34)/t21-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	274	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
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM278074 (2-(((3R,4S)-3-fluoro-1-formylpiperidin-4-yl)oxy)-5...) Show SMILES F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCNCC3)c(F)c2)n1)C=O |r| Show InChI InChI=1S/C26H26F2N8O2/c27-20-12-19(2-3-22(20)36-9-6-30-7-10-36)33-26-32-15-31-25(34-26)17-1-4-23(18(11-17)13-29)38-24-5-8-35(16-37)14-21(24)28/h1-4,11-12,15-16,21,24,30H,5-10,14H2,(H,31,32,33,34)/t21-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM278074 (2-(((3R,4S)-3-fluoro-1-formylpiperidin-4-yl)oxy)-5...) Show SMILES F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCNCC3)c(F)c2)n1)C=O |r| Show InChI InChI=1S/C26H26F2N8O2/c27-20-12-19(2-3-22(20)36-9-6-30-7-10-36)33-26-32-15-31-25(34-26)17-1-4-23(18(11-17)13-29)38-24-5-8-35(16-37)14-21(24)28/h1-4,11-12,15-16,21,24,30H,5-10,14H2,(H,31,32,33,34)/t21-,24+/m1/s1	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))	BDBM278074 (2-(((3R,4S)-3-fluoro-1-formylpiperidin-4-yl)oxy)-5...) Show SMILES F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCNCC3)c(F)c2)n1)C=O |r| Show InChI InChI=1S/C26H26F2N8O2/c27-20-12-19(2-3-22(20)36-9-6-30-7-10-36)33-26-32-15-31-25(34-26)17-1-4-23(18(11-17)13-29)38-24-5-8-35(16-37)14-21(24)28/h1-4,11-12,15-16,21,24,30H,5-10,14H2,(H,31,32,33,34)/t21-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.74E+5	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