Found 5 hits for monomerid = 50021889 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)) | BDBM50021889
(CHEMBL3298213)Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 |r| Show InChI InChI=1S/C27H34N4O4/c1-27(2,28)17-35-23-10-8-22(9-11-23)31-21-6-3-19(4-7-21)13-14-29-16-26(34)20-5-12-25(33)24(15-20)30-18-32/h3-12,15,18,26,29,31,33-34H,13-14,16-17,28H2,1-2H3,(H,30,32)/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]dihydroalprenolol from human beta2 adrenergic receptor expressing cell membrane by competition binding assay |
Bioorg Med Chem Lett 24: 2871-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT |
More data for this Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50021889
(CHEMBL3298213)Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 |r| Show InChI InChI=1S/C27H34N4O4/c1-27(2,28)17-35-23-10-8-22(9-11-23)31-21-6-3-19(4-7-21)13-14-29-16-26(34)20-5-12-25(33)24(15-20)30-18-32/h3-12,15,18,26,29,31,33-34H,13-14,16-17,28H2,1-2H3,(H,30,32)/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human beta3 adrenergic receptor expressed in cells by cAMP accumulation assay |
Bioorg Med Chem Lett 24: 2871-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50021889
(CHEMBL3298213)Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 |r| Show InChI InChI=1S/C27H34N4O4/c1-27(2,28)17-35-23-10-8-22(9-11-23)31-21-6-3-19(4-7-21)13-14-29-16-26(34)20-5-12-25(33)24(15-20)30-18-32/h3-12,15,18,26,29,31,33-34H,13-14,16-17,28H2,1-2H3,(H,30,32)/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.251 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human beta2 adrenergic receptor expressed in cells by cAMP accumulation assay |
Bioorg Med Chem Lett 24: 2871-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50021889
(CHEMBL3298213)Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 |r| Show InChI InChI=1S/C27H34N4O4/c1-27(2,28)17-35-23-10-8-22(9-11-23)31-21-6-3-19(4-7-21)13-14-29-16-26(34)20-5-12-25(33)24(15-20)30-18-32/h3-12,15,18,26,29,31,33-34H,13-14,16-17,28H2,1-2H3,(H,30,32)/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human beta2 adrenergic receptor in human BEAS-2B cells by cAMP accumulation assay |
Bioorg Med Chem Lett 24: 2871-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50021889
(CHEMBL3298213)Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 |r| Show InChI InChI=1S/C27H34N4O4/c1-27(2,28)17-35-23-10-8-22(9-11-23)31-21-6-3-19(4-7-21)13-14-29-16-26(34)20-5-12-25(33)24(15-20)30-18-32/h3-12,15,18,26,29,31,33-34H,13-14,16-17,28H2,1-2H3,(H,30,32)/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay |
Bioorg Med Chem Lett 24: 2871-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.095 BindingDB Entry DOI: 10.7270/Q22J6DFT |
More data for this Ligand-Target Pair | |