BDBM50407517 (-)ISOPROTERENOL::CHEMBL1160723::US9492405, 27
SMILES: CC(C)NC[C@H](O)c1ccc(O)c(O)c1
InChI Key: InChIKey=JWZZKOKVBUJMES-NSHDSACASA-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 |
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Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL | Assay Description Displacement of [3H]-CGP-12177 from human beta2-adrenergic receptor expressed in CHO cells after 60 mins by radioligand competition binding assay | J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-1 adrenergic receptor (Mus musculus) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL | Assay Description Displacement of [3H]-CGP-12177 from murine beta1-adrenergic receptor expressed in HEK293T cells after 60 mins by radioligand competition binding assa... | J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | PubMed | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by PDSP Ki Database | Mol Pharmacol 13: 454-73 (1977) BindingDB Entry DOI: 10.7270/Q2TT4PFZ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | PubMed | >7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by PDSP Ki Database | Mol Pharmacol 13: 454-73 (1977) BindingDB Entry DOI: 10.7270/Q2TT4PFZ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL | Assay Description Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre... | J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL | Assay Description Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre... | J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL | Assay Description Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre... | J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL | Assay Description Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre... | J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL | Assay Description Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring Rluc2-117-GalphaS/GFP10-Ggamma/Gbeta1 assessed as... | J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL | Assay Description Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring Rluc2-117-GalphaS/GFP10-Ggamma/Gbeta1 assessed as... | J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL | Assay Description Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre... | J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (GUINEA PIG) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Activity for Beta-2 adrenergic receptor was assessed from effect on relaxation of guinea pig trachea. | J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (GUINEA PIG) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Activity for Beta-1 adrenergic receptor was assessed from ability to stimulate contractions in isolated guinea pig atrium. | J Med Chem 38: 3681-716 (1995) BindingDB Entry DOI: 10.7270/Q2SB46C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | 37 |
The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent | Assay Description To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c... | US Patent US9492405 (2016) BindingDB Entry DOI: 10.7270/Q2CJ8CBM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50407517 ((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL | Assay Description Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre... | J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |