BDBM50213101 (S,S)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)ethylamino]ethyl}-1,3-benzenediol::CHEMBL389519::US10617654, Compound (S,S)-5::US9492405, (S,S)-5::US9492405, 20
SMILES: C[C@@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1
InChI Key: InChIKey=QGUPDXLZKDANGO-LHSJRXKWSA-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)) | BDBM50213101 ((S,S)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Lublin Curated by ChEMBL | Assay Description Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells | J Med Chem 50: 2903-15 (2007) Article DOI: 10.1021/jm070030d BindingDB Entry DOI: 10.7270/Q2R2112T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50213101 ((S,S)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 2.54E+3 | -7.09 | n/a | n/a | n/a | n/a | n/a | 7.8 | 4 |
The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent | Assay Description Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988).... | US Patent US9492405 (2016) BindingDB Entry DOI: 10.7270/Q2CJ8CBM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50213101 ((S,S)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Lublin Curated by ChEMBL | Assay Description Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane | J Med Chem 50: 2903-15 (2007) Article DOI: 10.1021/jm070030d BindingDB Entry DOI: 10.7270/Q2R2112T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50213101 ((S,S)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | >1.00E+5 | >-5.07 | n/a | n/a | n/a | n/a | n/a | 7.8 | 4 |
The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent | Assay Description Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988).... | US Patent US9492405 (2016) BindingDB Entry DOI: 10.7270/Q2CJ8CBM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50213101 ((S,S)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 2.54E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The USA, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent | Assay Description HEK 293 cells stability transfected with cDNA encoding human β2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) w... | US Patent US10617654 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic recepto (Mus musculus) | BDBM50213101 ((S,S)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | >1.00E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The USA, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent | Assay Description β1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988... | US Patent US10617654 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50213101 ((S,S)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | 7.7 | n/a |
The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent | Assay Description HEK 293 cells stability transfected with cDNA encoding human beta2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) wer... | US Patent US9492405 (2016) BindingDB Entry DOI: 10.7270/Q2CJ8CBM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50213101 ((S,S)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a |
The USA, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent | Assay Description HEK 293 cells stability transfected with cDNA encoding human β2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) w... | US Patent US10617654 (2020) | |||||||||||
More data for this Ligand-Target Pair |