Found 3 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)) | BDBM50090153
(4-[2-((R)-2-Cyclopentyl-ethyl)-oxazol-5-yl]-N-{4-[...)Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CCC3CCCC3)o2)cc1)c1cccnc1 Show InChI InChI=1S/C31H36N4O4S/c36-29(26-6-3-18-32-20-26)21-33-19-17-24-7-12-27(13-8-24)35-40(37,38)28-14-10-25(11-15-28)30-22-34-31(39-30)16-9-23-4-1-2-5-23/h3,6-8,10-15,18,20,22-23,29,33,35-36H,1-2,4-5,9,16-17,19,21H2/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol. |
Bioorg Med Chem Lett 10: 1531-4 (2000)
BindingDB Entry DOI: 10.7270/Q21C1W4N |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50090153
(4-[2-((R)-2-Cyclopentyl-ethyl)-oxazol-5-yl]-N-{4-[...)Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CCC3CCCC3)o2)cc1)c1cccnc1 Show InChI InChI=1S/C31H36N4O4S/c36-29(26-6-3-18-32-20-26)21-33-19-17-24-7-12-27(13-8-24)35-40(37,38)28-14-10-25(11-15-28)30-22-34-31(39-30)16-9-23-4-1-2-5-23/h3,6-8,10-15,18,20,22-23,29,33,35-36H,1-2,4-5,9,16-17,19,21H2/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol. |
Bioorg Med Chem Lett 10: 1531-4 (2000)
BindingDB Entry DOI: 10.7270/Q21C1W4N |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50090153
(4-[2-((R)-2-Cyclopentyl-ethyl)-oxazol-5-yl]-N-{4-[...)Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CCC3CCCC3)o2)cc1)c1cccnc1 Show InChI InChI=1S/C31H36N4O4S/c36-29(26-6-3-18-32-20-26)21-33-19-17-24-7-12-27(13-8-24)35-40(37,38)28-14-10-25(11-15-28)30-22-34-31(39-30)16-9-23-4-1-2-5-23/h3,6-8,10-15,18,20,22-23,29,33,35-36H,1-2,4-5,9,16-17,19,21H2/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP. |
Bioorg Med Chem Lett 10: 1531-4 (2000)
BindingDB Entry DOI: 10.7270/Q21C1W4N |
More data for this
Ligand-Target Pair | |