BDBM50099160 CHEMBL354906::[5-(4-{4-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-benzyl)-2,4-dioxo-thiazolidin-3-yl]-acetic acid
SMILES: CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cc2sc(=O)n(CC(O)=O)c2O)cc1
InChI Key: InChIKey=KTJPQXOUKYCACN-QFIPXVFZSA-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-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50099160 (CHEMBL354906 | [5-(4-{4-[(R)-2-Hydroxy-2-(4-hydrox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description Inhibition of 125 I-Iodocyanopindolol binding to Beta-2 adrenergic receptor | Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50099160 (CHEMBL354906 | [5-(4-{4-[(R)-2-Hydroxy-2-(4-hydrox...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor | Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM50099160 (CHEMBL354906 | [5-(4-{4-[(R)-2-Hydroxy-2-(4-hydrox...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research Curated by ChEMBL | Assay Description Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells. | Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5 | |||||||||||
More data for this Ligand-Target Pair |