BDBM50423829 CHEMBL1830485
SMILES: O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
InChI Key: InChIKey=MPRJMBOFZVZMFC-WPVGIGHWSA-N
Data: 7 Kd
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)) | BDBM50423829 (CHEMBL1830485) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells | J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50423829 (CHEMBL1830485) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 0.427 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co... | J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50423829 (CHEMBL1830485) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in cimeterol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce... | J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50423829 (CHEMBL1830485) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Antagonist activity at human beta-1 adrenergic receptor site 1 expressed in CGP 12177-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluoresce... | J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM50423829 (CHEMBL1830485) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Displacement of [3H]-CGP 12177 from human beta-3 adrenergic receptor expressed in CHOK1 cells | J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM50423829 (CHEMBL1830485) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Antagonist activity at human beta-3 adrenergic receptor expressed in fenoterol-stimulated CHOK1 cells assessed as CRE-SPAP level by fluorescence corr... | J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50423829 (CHEMBL1830485) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Displacement of [3H]-CGP 12177 from human beta-1 adrenergic receptor expressed in CHOK1 cells | J Med Chem 54: 6874-87 (2011) Article DOI: 10.1021/jm2008562 BindingDB Entry DOI: 10.7270/Q29S1SBQ | |||||||||||
More data for this Ligand-Target Pair |