BDBM50520174 CHEMBL4553949::US10894784, Example 16.06.02.A
SMILES: C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1
InChI Key: InChIKey=SYMILEXMAHCATG-CQSZACIVSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human)) | BDBM50520174 (CHEMBL4553949 | US10894784, Example 16.06.02.A) | Reactome pathway KEGG UniProtKB/SwissProt 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 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 | |||||||||||||
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human)) | BDBM50520174 (CHEMBL4553949 | US10894784, Example 16.06.02.A) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 19 | 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 | |||||||||||||
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human)) | BDBM50520174 (CHEMBL4553949 | US10894784, Example 16.06.02.A) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.52E+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 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)) | BDBM50520174 (CHEMBL4553949 | US10894784, Example 16.06.02.A) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 30 | 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 | |||||||||||||
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human)) | BDBM50520174 (CHEMBL4553949 | US10894784, Example 16.06.02.A) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 105 | 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 | |||||||||||||
Serine/threonine-protein kinase 17A (Homo sapiens (Human)) | BDBM50520174 (CHEMBL4553949 | US10894784, Example 16.06.02.A) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 10 | 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 | |||||||||||||
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human)) | BDBM50520174 (CHEMBL4553949 | US10894784, Example 16.06.02.A) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 372 | 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 | |||||||||||||
IKK epsilon/TBK1 (Homo sapiens (Human)) | BDBM50520174 (CHEMBL4553949 | US10894784, Example 16.06.02.A) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.21E+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 | |||||||||||||
Ribosomal protein S6 kinase alpha 6 (Homo sapiens (Human)) | BDBM50520174 (CHEMBL4553949 | US10894784, Example 16.06.02.A) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.36E+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 |