BDBM23108 4-(2-phenylethoxy)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]butan-1-one::alpha-ketooxazole, 12g
SMILES: O=C(CCCOCCc1ccccc1)c1ncc(o1)-c1ccccn1
InChI Key: InChIKey=WNHIDPJHYZFKBE-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 |
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DNA ligase 1 (Homo sapiens (Human)) | BDBM23108 (4-(2-phenylethoxy)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 63 | -9.82 | 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 |