BDBM100245 2-(5-hydroxy-4-keto-2,2-dimethyl-chroman-7-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide::2-[(2,2-dimethyl-5-oxidanyl-4-oxidanylidene-3H-chromen-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)ethanamide::2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide::2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide::MLS001160243::SMR000652740::cid_16406758
SMILES: COc1cc(NC(=O)COc2cc(O)c3C(=O)CC(C)(C)Oc3c2)cc(OC)c1OC
InChI Key: InChIKey=UZRJRZXGUYBCGF-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tegument protein VP16 (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...) | BDBM100245 (2-(5-hydroxy-4-keto-2,2-dimethyl-chroman-7-yl)oxy-...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2GM85ZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
COUP transcription factor 2 (Homo sapiens (Human)) | BDBM100245 (2-(5-hydroxy-4-keto-2,2-dimethyl-chroman-7-yl)oxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21Z431S | ||||||||||||
More data for this Ligand-Target Pair |