null

SMILES: OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(OC(F)F)c3)n2)[C@H](F)C1

InChI Key: InChIKey=RFYXJCRAXNSLMY-BVAGGSTKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 278171   

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))	BDBM278171 (5-(4-((3-(difluoromethoxy)-4-(4-(oxetan-3-yl)piper...) Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(OC(F)F)c3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C31H33F3N8O5/c32-23-14-42(28(44)15-43)6-5-26(23)46-25-4-1-19(11-20(25)13-35)29-36-18-37-31(39-29)38-21-2-3-24(27(12-21)47-30(33)34)41-9-7-40(8-10-41)22-16-45-17-22/h1-4,11-12,18,22-23,26,30,43H,5-10,14-17H2,(H,36,37,38,39)/t23-,26+/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))	BDBM278171 (5-(4-((3-(difluoromethoxy)-4-(4-(oxetan-3-yl)piper...) Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(OC(F)F)c3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C31H33F3N8O5/c32-23-14-42(28(44)15-43)6-5-26(23)46-25-4-1-19(11-20(25)13-35)29-36-18-37-31(39-29)38-21-2-3-24(27(12-21)47-30(33)34)41-9-7-40(8-10-41)22-16-45-17-22/h1-4,11-12,18,22-23,26,30,43H,5-10,14-17H2,(H,36,37,38,39)/t23-,26+/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))	BDBM278171 (5-(4-((3-(difluoromethoxy)-4-(4-(oxetan-3-yl)piper...) Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(OC(F)F)c3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C31H33F3N8O5/c32-23-14-42(28(44)15-43)6-5-26(23)46-25-4-1-19(11-20(25)13-35)29-36-18-37-31(39-29)38-21-2-3-24(27(12-21)47-30(33)34)41-9-7-40(8-10-41)22-16-45-17-22/h1-4,11-12,18,22-23,26,30,43H,5-10,14-17H2,(H,36,37,38,39)/t23-,26+/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	29	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))	BDBM278171 (5-(4-((3-(difluoromethoxy)-4-(4-(oxetan-3-yl)piper...) Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(OC(F)F)c3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C31H33F3N8O5/c32-23-14-42(28(44)15-43)6-5-26(23)46-25-4-1-19(11-20(25)13-35)29-36-18-37-31(39-29)38-21-2-3-24(27(12-21)47-30(33)34)41-9-7-40(8-10-41)22-16-45-17-22/h1-4,11-12,18,22-23,26,30,43H,5-10,14-17H2,(H,36,37,38,39)/t23-,26+/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))	BDBM278171 (5-(4-((3-(difluoromethoxy)-4-(4-(oxetan-3-yl)piper...) Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(OC(F)F)c3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C31H33F3N8O5/c32-23-14-42(28(44)15-43)6-5-26(23)46-25-4-1-19(11-20(25)13-35)29-36-18-37-31(39-29)38-21-2-3-24(27(12-21)47-30(33)34)41-9-7-40(8-10-41)22-16-45-17-22/h1-4,11-12,18,22-23,26,30,43H,5-10,14-17H2,(H,36,37,38,39)/t23-,26+/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))	BDBM278171 (5-(4-((3-(difluoromethoxy)-4-(4-(oxetan-3-yl)piper...) Show SMILES OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(OC(F)F)c3)n2)[C@H](F)C1 |r| Show InChI InChI=1S/C31H33F3N8O5/c32-23-14-42(28(44)15-43)6-5-26(23)46-25-4-1-19(11-20(25)13-35)29-36-18-37-31(39-29)38-21-2-3-24(27(12-21)47-30(33)34)41-9-7-40(8-10-41)22-16-45-17-22/h1-4,11-12,18,22-23,26,30,43H,5-10,14-17H2,(H,36,37,38,39)/t23-,26+/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	2.90E+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