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SMILES: Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1

InChI Key: InChIKey=UOPCRSIUYMGQCP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50520168   

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))	BDBM50520168 (CHEMBL4549459 | US10894784, Example 16.01.02) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal His-tagged TBK1 using biotin-labelled Ahx-GDEDFSSFAEPG peptide as substrate preincubated with ...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-6 (Homo sapiens (Human))	BDBM50520168 (CHEMBL4549459 | US10894784, Example 16.01.02) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant full length human His6-tagged RSK4 expressed in baculovirus infected sf21 cells using biotin labelled Ahx-KKLNRTLSFAEPG pep...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 17A (Homo sapiens (Human))	BDBM50520168 (CHEMBL4549459 | US10894784, Example 16.01.02) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of wild-type human partial length DRAK1 (R32 to E363 residues) expressed in bacterial expression system by Kinomescan method				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520168 (CHEMBL4549459 | US10894784, Example 16.01.02) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of IKKepsilon/TBK1 in human MDB-MB-231 cells transduced with lentiviral vector expressing human IRF3 assessed as decrease in poly(I:C)-sti...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520168 (CHEMBL4549459 | US10894784, Example 16.01.02) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length N-terminally His-tagged human TBK1, expressed in insect cells and purified by Ni-NTA affinity chromatography, was purchased f...				US Patent US10894784 (2021)
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50520168 (CHEMBL4549459 | US10894784, Example 16.01.02) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal GST-tagged IKKepsilon expressed in baculovirus expression system using biotin-labelled Ahx-GDE...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50520168 (CHEMBL4549459 | US10894784, Example 16.01.02) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	455	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant full length human His-tagged CDK9/CyclinT1 expressed in baculovirus expression system using biotin-labelled Ttds-YISPLKSPYK...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50520168 (CHEMBL4549459 | US10894784, Example 16.01.02) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged FLT3 (564 to end residues) expressed in sf21 cells using biotin labelled Ahx-GGEEEEYFELVKKKK pe...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50520168 (CHEMBL4549459 | US10894784, Example 16.01.02) Show SMILES Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1 Show InChI InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal His-tagged TBK1 using biotin-labelled Ahx-GDEDFSSFAEPG peptide as substrate preincubated with ...				J Med Chem 63: 601-612 (2020) Article DOI: 10.1021/acs.jmedchem.9b01460
					More data for this Ligand-Target Pair