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)) | BDBM50432707
(LK-204-545 | LK-204545)Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs |
J Med Chem 56: 3852-65 (2013)
Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50432707
(LK-204-545 | LK-204545)Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.88E+3 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ... |
J Med Chem 56: 3852-65 (2013)
Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50432707
(LK-204-545 | LK-204545)Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 5.13E+3 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGP12177 from human beta2 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis |
J Med Chem 56: 3852-65 (2013)
Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 |
More data for this Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50432707
(LK-204-545 | LK-204545)Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Agonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs |
J Med Chem 56: 3852-65 (2013)
Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 |
More data for this Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50432707
(LK-204-545 | LK-204545)Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Antagonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ... |
J Med Chem 56: 3852-65 (2013)
Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50432707
(LK-204-545 | LK-204545)Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis |
J Med Chem 56: 3852-65 (2013)
Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50432707
(LK-204-545 | LK-204545)Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs |
J Med Chem 56: 3852-65 (2013)
Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50432707
(LK-204-545 | LK-204545)Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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 beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ... |
J Med Chem 56: 3852-65 (2013)
Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 |
More data for this Ligand-Target Pair | |