BDBM23096 alpha-ketooxazole, 4bb::methyl 3-{7-oxo-7-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hept-1-yn-1-yl}benzoate
SMILES: COC(=O)c1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
InChI Key: InChIKey=NELYRIUOURRYFN-UHFFFAOYSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DNA ligase 1 (Homo sapiens (Human)) | BDBM23096 (alpha-ketooxazole, 4bb | methyl 3-{7-oxo-7-[5-(pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 30 | -10.3 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
The Scripps Research Institute | Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe... | J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH | |||||||||||
More data for this Ligand-Target Pair |