BDBM27444 5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(4-methanesulfonylphenyl)methoxy]thiophene-2-carboxamide::BMCL191018 Compound 39::benzimidazole-thiophene carboxamide, 2
SMILES: COc1cc2ncn(-c3cc(OCc4ccc(cc4)S(C)(=O)=O)c(s3)C(N)=O)c2cc1OC
InChI Key: InChIKey=YYZTVTZCYVZGRB-UHFFFAOYSA-N
Data: 4 IC50
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 PLK1 (Homo sapiens (Human)) | BDBM27444 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(4-me...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description The compound inhibitory activity was determined by incubation with purified PLK enzyme and biotinylated peptide substrate in the presence ATP/[gamma-... | Bioorg Med Chem Lett 19: 1018-21 (2009) Article DOI: 10.1016/j.bmcl.2008.11.041 BindingDB Entry DOI: 10.7270/Q26T0JZX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM27444 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(4-me...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 126 | n/a | n/a | n/a | n/a | 7.2 | 22 |
GSK | Assay Description The compound inhibitory activity was determined by incubation with purified PLK1 and biotinylated peptide substrate in the presence ATP/[gamma-33P]AT... | Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human)) | BDBM27444 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(4-me...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.58E+4 | n/a | n/a | n/a | n/a | 7.4 | 22 |
GSK | Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... | Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human)) | BDBM27444 (5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-[(4-me...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.58E+4 | n/a | n/a | n/a | n/a | 7.4 | 22 |
GSK | Assay Description IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi... | Bioorg Med Chem Lett 16: 6236-40 (2006) Article DOI: 10.1016/j.bmcl.2006.09.018 BindingDB Entry DOI: 10.7270/Q2VQ311M | |||||||||||
More data for this Ligand-Target Pair |