BDBM50516171 CHEMBL4446892

SMILES: Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1

InChI Key: InChIKey=FFPHMUIGESPOTK-UHFFFAOYSA-N

Data: 5 IC50  7 Kd

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 12 hits for monomerid = 50516171   

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))	BDBM50516171 (CHEMBL4446892) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Cellzome GmbH Curated by ChEMBL					Assay Description Binding affinity to TBK1 in human HEK293/K562/placenta/HepG2 cell lysate mixture incubated for 45 mins by kinobeads based assay				ACS Med Chem Lett 10: 780-785 (2019) Article DOI: 10.1021/acsmedchemlett.9b00027
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 17B (STK17B) (Homo sapiens (Human))	BDBM50516171 (CHEMBL4446892) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a
Cellzome GmbH Curated by ChEMBL					Assay Description Binding affinity to ST17B in human HEK293/K562/placenta/HepG2 cell lysate mixture incubated for 45 mins by kinobeads based assay				ACS Med Chem Lett 10: 780-785 (2019) Article DOI: 10.1021/acsmedchemlett.9b00027
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50516171 (CHEMBL4446892) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome GmbH Curated by ChEMBL					Assay Description Inhibition of TBK1 in human Ramos cells assessed as decrease in poly(I:C)-stimulated IRF3 phosphorylation at Ser396 residue preincubated for 60 mins ...				ACS Med Chem Lett 10: 780-785 (2019) Article DOI: 10.1021/acsmedchemlett.9b00027
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50516171 (CHEMBL4446892) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome GmbH Curated by ChEMBL					Assay Description Inhibition of TBK1 in TLR3-stimulated human PBMC assessed as decrease in poly(I:C)-induced IFNalpha secretion preincubated for 1 hr followed by poly(...				ACS Med Chem Lett 10: 780-785 (2019) Article DOI: 10.1021/acsmedchemlett.9b00027
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50516171 (CHEMBL4446892) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome GmbH Curated by ChEMBL					Assay Description Inhibition of TBK1 in human THP1 cells assessed as decrease in baculovirus-stimulated IFNbeta secretion preincubated for 45 mins followed by virus ad...				ACS Med Chem Lett 10: 780-785 (2019) Article DOI: 10.1021/acsmedchemlett.9b00027
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50516171 (CHEMBL4446892) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
Cellzome GmbH Curated by ChEMBL					Assay Description Binding affinity to TBK1 in human Ramos cell lysate incubated for 45 mins by kinobeads based assay				ACS Med Chem Lett 10: 780-785 (2019) Article DOI: 10.1021/acsmedchemlett.9b00027
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50516171 (CHEMBL4446892) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a
Cellzome GmbH Curated by ChEMBL					Assay Description Binding affinity to phosphorylated TBK1 in calyculin A stimulated human Ramos cell lysate incubated for 45 mins by kinobeads based assay				ACS Med Chem Lett 10: 780-785 (2019) Article DOI: 10.1021/acsmedchemlett.9b00027
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50516171 (CHEMBL4446892) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant human TBK1 using MBP as substrate in presence of gamma-33P]-ATP by Hotspot assay				ACS Med Chem Lett 10: 780-785 (2019) Article DOI: 10.1021/acsmedchemlett.9b00027
					More data for this Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50516171 (CHEMBL4446892) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome GmbH Curated by ChEMBL					Assay Description Inhibition of TBK1 in human THP1 cells assessed as decrease in c-GAMP stimulated IFNbeta secretion preincubated for 45 mins followed by c-GAMP additi...				ACS Med Chem Lett 10: 780-785 (2019) Article DOI: 10.1021/acsmedchemlett.9b00027
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase, PI4K (Homo sapiens (Human))	BDBM50516171 (CHEMBL4446892) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a
Cellzome GmbH Curated by ChEMBL					Assay Description Binding affinity to PI4KB in human HEK293/K562/placenta/HepG2 cell lysate mixture incubated for 45 mins by lipid-kinobeads based assay				ACS Med Chem Lett 10: 780-785 (2019) Article DOI: 10.1021/acsmedchemlett.9b00027
					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50516171 (CHEMBL4446892) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a
Cellzome GmbH Curated by ChEMBL					Assay Description Binding affinity to AAK1 in human HEK293/K562/placenta/HepG2 cell lysate mixture incubated for 45 mins by kinobeads based assay				ACS Med Chem Lett 10: 780-785 (2019) Article DOI: 10.1021/acsmedchemlett.9b00027
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50516171 (CHEMBL4446892) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
Cellzome GmbH Curated by ChEMBL					Assay Description Binding affinity to IKKepsilon in human HEK293/K562/placenta/HepG2 cell lysate mixture incubated for 45 mins by kinobeads based assay				ACS Med Chem Lett 10: 780-785 (2019) Article DOI: 10.1021/acsmedchemlett.9b00027
					More data for this Ligand-Target Pair