null

SMILES: CN1CC[C@H](Oc2ccc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)[C@@H](O)CO)c(c3)C#N)cc2)[C@H](F)C1

InChI Key: InChIKey=MAGYPARKFHXVPO-IUJPGNIVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 278176   

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))	BDBM278176 (2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...) Show SMILES CN1CC[C@H](Oc2ccc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)[C@@H](O)CO)c(c3)C#N)cc2)[C@H](F)C1 |r| Show InChI InChI=1S/C30H33F2N7O5/c1-38-10-8-26(22(31)14-38)43-21-5-3-20(4-6-21)36-30-35-17-34-28(37-30)18-2-7-25(19(12-18)13-33)44-27-9-11-39(15-23(27)32)29(42)24(41)16-40/h2-7,12,17,22-24,26-27,40-41H,8-11,14-16H2,1H3,(H,34,35,36,37)/t22-,23-,24+,26+,27+/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))	BDBM278176 (2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...) Show SMILES CN1CC[C@H](Oc2ccc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)[C@@H](O)CO)c(c3)C#N)cc2)[C@H](F)C1 |r| Show InChI InChI=1S/C30H33F2N7O5/c1-38-10-8-26(22(31)14-38)43-21-5-3-20(4-6-21)36-30-35-17-34-28(37-30)18-2-7-25(19(12-18)13-33)44-27-9-11-39(15-23(27)32)29(42)24(41)16-40/h2-7,12,17,22-24,26-27,40-41H,8-11,14-16H2,1H3,(H,34,35,36,37)/t22-,23-,24+,26+,27+/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))	BDBM278176 (2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...) Show SMILES CN1CC[C@H](Oc2ccc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)[C@@H](O)CO)c(c3)C#N)cc2)[C@H](F)C1 |r| Show InChI InChI=1S/C30H33F2N7O5/c1-38-10-8-26(22(31)14-38)43-21-5-3-20(4-6-21)36-30-35-17-34-28(37-30)18-2-7-25(19(12-18)13-33)44-27-9-11-39(15-23(27)32)29(42)24(41)16-40/h2-7,12,17,22-24,26-27,40-41H,8-11,14-16H2,1H3,(H,34,35,36,37)/t22-,23-,24+,26+,27+/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	763	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))	BDBM278176 (2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...) Show SMILES CN1CC[C@H](Oc2ccc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)[C@@H](O)CO)c(c3)C#N)cc2)[C@H](F)C1 |r| Show InChI InChI=1S/C30H33F2N7O5/c1-38-10-8-26(22(31)14-38)43-21-5-3-20(4-6-21)36-30-35-17-34-28(37-30)18-2-7-25(19(12-18)13-33)44-27-9-11-39(15-23(27)32)29(42)24(41)16-40/h2-7,12,17,22-24,26-27,40-41H,8-11,14-16H2,1H3,(H,34,35,36,37)/t22-,23-,24+,26+,27+/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))	BDBM278176 (2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...) Show SMILES CN1CC[C@H](Oc2ccc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)[C@@H](O)CO)c(c3)C#N)cc2)[C@H](F)C1 |r| Show InChI InChI=1S/C30H33F2N7O5/c1-38-10-8-26(22(31)14-38)43-21-5-3-20(4-6-21)36-30-35-17-34-28(37-30)18-2-7-25(19(12-18)13-33)44-27-9-11-39(15-23(27)32)29(42)24(41)16-40/h2-7,12,17,22-24,26-27,40-41H,8-11,14-16H2,1H3,(H,34,35,36,37)/t22-,23-,24+,26+,27+/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))	BDBM278176 (2-(((3R,4S)-1-((S)-2,3-dihydroxypropanoyl)-3-fluor...) Show SMILES CN1CC[C@H](Oc2ccc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)[C@@H](O)CO)c(c3)C#N)cc2)[C@H](F)C1 |r| Show InChI InChI=1S/C30H33F2N7O5/c1-38-10-8-26(22(31)14-38)43-21-5-3-20(4-6-21)36-30-35-17-34-28(37-30)18-2-7-25(19(12-18)13-33)44-27-9-11-39(15-23(27)32)29(42)24(41)16-40/h2-7,12,17,22-24,26-27,40-41H,8-11,14-16H2,1H3,(H,34,35,36,37)/t22-,23-,24+,26+,27+/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	7.63E+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