BDBM128233 (5Z)-5-[(E)-3-(1,3-benzodioxol-5-yl)-1-hydroxy-prop-2-enylidene]-1-butyl-barbituric acid::(5Z)-5-[(E)-3-(1,3-benzodioxol-5-yl)-1-hydroxyprop-2-enylidene]-1-butyl-1,3-diazinane-2,4,6-trione::(5Z)-5-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxidanyl-prop-2-enylidene]-1-butyl-1,3-diazinane-2,4,6-trione::5-((E)-3-Benzo[1,3]dioxol-5-yl-acryloyl)-3-butyl-6-hydroxy-1H-pyrimidine-2,4-dione::MLS000763033::SMR000439468::cid_54677751
SMILES: CCCCN1C(=O)NC(=O)\C(=C(\O)/C=C/c2ccc3OCOc3c2)C1=O
InChI Key: InChIKey=KQDDWXNOHKMGJJ-QXRPCXSHSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Transthyretin (Homo sapiens (Human)) | BDBM128233 ((5Z)-5-[(E)-3-(1,3-benzodioxol-5-yl)-1-hydroxy-pro...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | >1.67E+5 | 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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2DN43RH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transthyretin (Homo sapiens (Human)) | BDBM128233 ((5Z)-5-[(E)-3-(1,3-benzodioxol-5-yl)-1-hydroxy-pro...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 9.09E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2JD4VGV | |||||||||||
More data for this Ligand-Target Pair |