Found 8 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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)) | BDBM50419636
(CHEMBL1940815)Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(NCC(O)c2ccccc2)cc1 Show InChI InChI=1S/C25H30N2O4/c28-17-21-14-20(8-11-23(21)29)24(30)15-26-13-12-18-6-9-22(10-7-18)27-16-25(31)19-4-2-1-3-5-19/h1-11,14,24-31H,12-13,15-17H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]dihydroalprenolol from beta2-adrenoceptor after 90 mins by liquid scintillation counting |
Bioorg Med Chem Lett 22: 1213-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.072 BindingDB Entry DOI: 10.7270/Q2QN681Q |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419651
(CHEMBL1940831)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC[C@@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H30N2O4/c28-17-21-14-20(8-11-23(21)29)24(30)15-26-13-12-18-6-9-22(10-7-18)27-16-25(31)19-4-2-1-3-5-19/h1-11,14,24-31H,12-13,15-17H2/t24-,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at beta2-adrenoceptor endogenously expressed in human BEAS-2B cells assessed as cAMP accumulation by homogeneous radioimmunoassay |
Bioorg Med Chem Lett 22: 1213-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.072 BindingDB Entry DOI: 10.7270/Q2QN681Q |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419651
(CHEMBL1940831)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC[C@@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H30N2O4/c28-17-21-14-20(8-11-23(21)29)24(30)15-26-13-12-18-6-9-22(10-7-18)27-16-25(31)19-4-2-1-3-5-19/h1-11,14,24-31H,12-13,15-17H2/t24-,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.316 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human beta2-adrenoceptor expressed in whole cells assessed as cAMP accumulation by homogeneous radioimmunoassay |
Bioorg Med Chem Lett 22: 1213-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.072 BindingDB Entry DOI: 10.7270/Q2QN681Q |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419651
(CHEMBL1940831)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC[C@@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H30N2O4/c28-17-21-14-20(8-11-23(21)29)24(30)15-26-13-12-18-6-9-22(10-7-18)27-16-25(31)19-4-2-1-3-5-19/h1-11,14,24-31H,12-13,15-17H2/t24-,25+/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 | n/a | 251 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human beta1-adrenoceptor expressed in whole cells assessed as cAMP accumulation by homogeneous radioimmunoassay |
Bioorg Med Chem Lett 22: 1213-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.072 BindingDB Entry DOI: 10.7270/Q2QN681Q |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419636
(CHEMBL1940815)Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(NCC(O)c2ccccc2)cc1 Show InChI InChI=1S/C25H30N2O4/c28-17-21-14-20(8-11-23(21)29)24(30)15-26-13-12-18-6-9-22(10-7-18)27-16-25(31)19-4-2-1-3-5-19/h1-11,14,24-31H,12-13,15-17H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.316 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human beta2-adrenoceptor expressed in whole cells assessed as cAMP accumulation by homogeneous radioimmunoassay |
Bioorg Med Chem Lett 22: 1213-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.072 BindingDB Entry DOI: 10.7270/Q2QN681Q |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419650
(CHEMBL1940830)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H30N2O4/c28-17-21-14-20(8-11-23(21)29)24(30)15-26-13-12-18-6-9-22(10-7-18)27-16-25(31)19-4-2-1-3-5-19/h1-11,14,24-31H,12-13,15-17H2/t24-,25-/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 | n/a | 251 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human beta1-adrenoceptor expressed in whole cells assessed as cAMP accumulation by homogeneous radioimmunoassay |
Bioorg Med Chem Lett 22: 1213-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.072 BindingDB Entry DOI: 10.7270/Q2QN681Q |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419650
(CHEMBL1940830)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H30N2O4/c28-17-21-14-20(8-11-23(21)29)24(30)15-26-13-12-18-6-9-22(10-7-18)27-16-25(31)19-4-2-1-3-5-19/h1-11,14,24-31H,12-13,15-17H2/t24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at beta2-adrenoceptor endogenously expressed in human BEAS-2B cells assessed as cAMP accumulation by homogeneous radioimmunoassay |
Bioorg Med Chem Lett 22: 1213-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.072 BindingDB Entry DOI: 10.7270/Q2QN681Q |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419650
(CHEMBL1940830)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C25H30N2O4/c28-17-21-14-20(8-11-23(21)29)24(30)15-26-13-12-18-6-9-22(10-7-18)27-16-25(31)19-4-2-1-3-5-19/h1-11,14,24-31H,12-13,15-17H2/t24-,25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human beta2-adrenoceptor expressed in whole cells assessed as cAMP accumulation by homogeneous radioimmunoassay |
Bioorg Med Chem Lett 22: 1213-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.072 BindingDB Entry DOI: 10.7270/Q2QN681Q |
More data for this Ligand-Target Pair | |