BDBM50036841 3-tert-Butylamino-2-hydroxy-propionaldehyde O-ethyl-oxime; compound with (E)-but-2-enedioic acid::CHEMBL39987
SMILES: CCO\N=C\C(O)CNC(C)(C)C
InChI Key: InChIKey=XTWDPMSYYKHNOK-YRNVUSSQSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-1 adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50036841 (3-tert-Butylamino-2-hydroxy-propionaldehyde O-ethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitá di Pisa Curated by ChEMBL | Assay Description Binding affinity against beta1-adrenergic receptor in rat brain | J Med Chem 37: 1518-25 (1994) BindingDB Entry DOI: 10.7270/Q2V69HM4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ADRB2 (BOVINE) | BDBM50036841 (3-tert-Butylamino-2-hydroxy-propionaldehyde O-ethy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitá di Pisa Curated by ChEMBL | Assay Description Binding afinity against beta2-adrenergic receptor in bovine lung | J Med Chem 37: 1518-25 (1994) BindingDB Entry DOI: 10.7270/Q2V69HM4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (GUINEA PIG) | BDBM50036841 (3-tert-Butylamino-2-hydroxy-propionaldehyde O-ethy...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 977 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitá di Pisa Curated by ChEMBL | Assay Description Inhibitory concentration against beta-2-adrenergic receptor in isolated guinea pig tracheal strips | J Med Chem 37: 1518-25 (1994) BindingDB Entry DOI: 10.7270/Q2V69HM4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (GUINEA PIG) | BDBM50036841 (3-tert-Butylamino-2-hydroxy-propionaldehyde O-ethy...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universitá di Pisa Curated by ChEMBL | Assay Description Inhibitory concentration against beta-1-adrenergic receptor in isolated guinea pig atria | J Med Chem 37: 1518-25 (1994) BindingDB Entry DOI: 10.7270/Q2V69HM4 | |||||||||||
More data for this Ligand-Target Pair |