Found 14 hits for monomerid = 50423820 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-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 115 | 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)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 794 | 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-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 7.10 | 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)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 5.80 | 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)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 2.5 | 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-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 1.70 | 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)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | >1.00E+3 | 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-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 52 | 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-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 78 | 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-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 186 | 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 | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 191 | 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 | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 68 | 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)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 141 | 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)) | BDBM50423820
(CHEMBL1830487)Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12 |r,c:37,45,t:35| Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1 | 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 | 219 | 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 | |