BDBM277956 2-(((4R,5S)-5-fluoro-1-(2- hydroxyacetyl)-3,3- dimethylpiperidin-4- yl)oxy)-5-(4-((4-(4-(oxetan- 3-yl)piperazin-1- yl)phenyl)amino)-1,3,5- triazin-2-yl)benzonitrile::US10040781, Example 178::US10253019, Example 178

SMILES: CC1(C)CN(C[C@H](F)[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO

InChI Key: InChIKey=ZWIZDCQAFLVPFU-WNJJXGMVSA-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 = 277956   

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))	BDBM277956 (2-(((4R,5S)-5-fluoro-1-(2- hydroxyacetyl)-3,3- dim...) Show SMILES CC1(C)CN(C[C@H](F)[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO |r| Show InChI InChI=1S/C32H37FN8O4/c1-32(2)19-41(28(43)16-42)15-26(33)29(32)45-27-8-3-21(13-22(27)14-34)30-35-20-36-31(38-30)37-23-4-6-24(7-5-23)39-9-11-40(12-10-39)25-17-44-18-25/h3-8,13,20,25-26,29,42H,9-12,15-19H2,1-2H3,(H,35,36,37,38)/t26-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+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))	BDBM277956 (2-(((4R,5S)-5-fluoro-1-(2- hydroxyacetyl)-3,3- dim...) Show SMILES CC1(C)CN(C[C@H](F)[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO |r| Show InChI InChI=1S/C32H37FN8O4/c1-32(2)19-41(28(43)16-42)15-26(33)29(32)45-27-8-3-21(13-22(27)14-34)30-35-20-36-31(38-30)37-23-4-6-24(7-5-23)39-9-11-40(12-10-39)25-17-44-18-25/h3-8,13,20,25-26,29,42H,9-12,15-19H2,1-2H3,(H,35,36,37,38)/t26-,29-/m0/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))	BDBM277956 (2-(((4R,5S)-5-fluoro-1-(2- hydroxyacetyl)-3,3- dim...) Show SMILES CC1(C)CN(C[C@H](F)[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO |r| Show InChI InChI=1S/C32H37FN8O4/c1-32(2)19-41(28(43)16-42)15-26(33)29(32)45-27-8-3-21(13-22(27)14-34)30-35-20-36-31(38-30)37-23-4-6-24(7-5-23)39-9-11-40(12-10-39)25-17-44-18-25/h3-8,13,20,25-26,29,42H,9-12,15-19H2,1-2H3,(H,35,36,37,38)/t26-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49	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))	BDBM277956 (2-(((4R,5S)-5-fluoro-1-(2- hydroxyacetyl)-3,3- dim...) Show SMILES CC1(C)CN(C[C@H](F)[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO |r| Show InChI InChI=1S/C32H37FN8O4/c1-32(2)19-41(28(43)16-42)15-26(33)29(32)45-27-8-3-21(13-22(27)14-34)30-35-20-36-31(38-30)37-23-4-6-24(7-5-23)39-9-11-40(12-10-39)25-17-44-18-25/h3-8,13,20,25-26,29,42H,9-12,15-19H2,1-2H3,(H,35,36,37,38)/t26-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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))	BDBM277956 (2-(((4R,5S)-5-fluoro-1-(2- hydroxyacetyl)-3,3- dim...) Show SMILES CC1(C)CN(C[C@H](F)[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO |r| Show InChI InChI=1S/C32H37FN8O4/c1-32(2)19-41(28(43)16-42)15-26(33)29(32)45-27-8-3-21(13-22(27)14-34)30-35-20-36-31(38-30)37-23-4-6-24(7-5-23)39-9-11-40(12-10-39)25-17-44-18-25/h3-8,13,20,25-26,29,42H,9-12,15-19H2,1-2H3,(H,35,36,37,38)/t26-,29-/m0/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))	BDBM277956 (2-(((4R,5S)-5-fluoro-1-(2- hydroxyacetyl)-3,3- dim...) Show SMILES CC1(C)CN(C[C@H](F)[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO |r| Show InChI InChI=1S/C32H37FN8O4/c1-32(2)19-41(28(43)16-42)15-26(33)29(32)45-27-8-3-21(13-22(27)14-34)30-35-20-36-31(38-30)37-23-4-6-24(7-5-23)39-9-11-40(12-10-39)25-17-44-18-25/h3-8,13,20,25-26,29,42H,9-12,15-19H2,1-2H3,(H,35,36,37,38)/t26-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90E+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