BDBM25922 2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethan-1-ol::benzimidazoquinoxaline analogue, 7c
SMILES: Cc1cnc2c(NCCO)nc3cc4ccccc4cc3n12
InChI Key: InChIKey=UMGOIQFASVFXBU-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human)) | BDBM25922 (2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 870 | n/a | n/a | n/a | n/a | 8.0 | 30 |
Bristol-Myers Squibb Company | Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph... | Bioorg Med Chem Lett 17: 1233-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.017 BindingDB Entry DOI: 10.7270/Q2V40SJF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human)) | BDBM25922 (2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human IKKbeta using GST-IkappaBalpha as substrate | Eur J Med Chem 63: 269-78 (2013) Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human)) | BDBM25922 (2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | 8.0 | 30 |
Bristol-Myers Squibb Company | Assay Description Assays measuring the enzyme-catalyzed phosphorylation of GST-I kappa B alpha were performed. The phosphorylated substrate was detected using a Phosph... | Bioorg Med Chem Lett 17: 1233-7 (2007) Article DOI: 10.1016/j.bmcl.2006.12.017 BindingDB Entry DOI: 10.7270/Q2V40SJF | |||||||||||
More data for this Ligand-Target Pair |