BDBM39871 3-butyl-2-keto-5-(morpholinomethyl)tetrahydrofuran-3-carboxylic acid ethyl ester::3-butyl-5-(4-morpholinylmethyl)-2-oxo-3-oxolanecarboxylic acid ethyl ester::MLS000037648::SMR000034771::cid_661019::ethyl 3-butyl-5-(morpholin-4-ylmethyl)-2-oxidanylidene-oxolane-3-carboxylate::ethyl 3-butyl-5-(morpholin-4-ylmethyl)-2-oxooxolane-3-carboxylate
SMILES: CCCCC1(CC(CN2CCOCC2)OC1=O)C(=O)OCC
InChI Key: InChIKey=HHJCITZXPVTSHY-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Integrin alpha-4 (Homo sapiens (Human)) | BDBM39871 (3-butyl-2-keto-5-(morpholinomethyl)tetrahydrofuran...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H130FK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide (Homo sapiens (Human)) | BDBM39871 (3-butyl-2-keto-5-(morpholinomethyl)tetrahydrofuran...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 pr... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2V986FT | |||||||||||
More data for this Ligand-Target Pair |