Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50569301' 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)) | BDBM50569301
(CHEMBL4854091)Show SMILES O[C@@H](CNCCc1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,18.19,wD:23.23,(1.74,-37.97,;3.08,-38.73,;4.41,-37.96,;5.75,-38.72,;7.08,-37.95,;8.41,-38.72,;9.75,-37.94,;11.08,-38.71,;12.41,-37.94,;12.4,-36.4,;13.74,-35.62,;15.07,-36.39,;16.4,-35.61,;16.39,-34.08,;17.71,-33.3,;19.06,-34.06,;19.06,-35.6,;17.73,-36.38,;20.4,-36.37,;21.73,-35.59,;23.07,-36.36,;23.07,-37.9,;24.4,-35.58,;25.74,-36.35,;25.73,-37.9,;27.06,-38.66,;28.39,-37.89,;28.39,-36.35,;27.05,-35.58,;27.81,-36.91,;26.28,-37.32,;20.41,-37.91,;19.08,-38.68,;19.08,-40.22,;20.42,-40.98,;21.76,-40.2,;21.74,-38.66,;11.06,-35.63,;9.73,-36.41,;3.08,-40.27,;1.76,-41.04,;1.75,-42.59,;3.09,-43.36,;3.09,-44.9,;4.42,-42.58,;5.75,-43.35,;7.09,-42.59,;8.42,-43.36,;7.09,-41.04,;5.75,-40.26,;4.42,-41.04,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| |
J Med Chem 48: 4500-3 (2005)
Article DOI: 10.1021/acs.jmedchem.2c00609
BindingDB Entry DOI: 10.7270/Q2TH8RQS |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50569301
(CHEMBL4854091)Show SMILES O[C@@H](CNCCc1ccc(COc2cccc(c2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:1.0,18.19,wD:23.23,(1.74,-37.97,;3.08,-38.73,;4.41,-37.96,;5.75,-38.72,;7.08,-37.95,;8.41,-38.72,;9.75,-37.94,;11.08,-38.71,;12.41,-37.94,;12.4,-36.4,;13.74,-35.62,;15.07,-36.39,;16.4,-35.61,;16.39,-34.08,;17.71,-33.3,;19.06,-34.06,;19.06,-35.6,;17.73,-36.38,;20.4,-36.37,;21.73,-35.59,;23.07,-36.36,;23.07,-37.9,;24.4,-35.58,;25.74,-36.35,;25.73,-37.9,;27.06,-38.66,;28.39,-37.89,;28.39,-36.35,;27.05,-35.58,;27.81,-36.91,;26.28,-37.32,;20.41,-37.91,;19.08,-38.68,;19.08,-40.22,;20.42,-40.98,;21.76,-40.2,;21.74,-38.66,;11.06,-35.63,;9.73,-36.41,;3.08,-40.27,;1.76,-41.04,;1.75,-42.59,;3.09,-43.36,;3.09,-44.9,;4.42,-42.58,;5.75,-43.35,;7.09,-42.59,;8.42,-43.36,;7.09,-41.04,;5.75,-40.26,;4.42,-41.04,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of 125I-cyanopindolol from human adrenergic beta2 receptor |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127975
BindingDB Entry DOI: 10.7270/Q2F193HC |
More data for this
Ligand-Target Pair | |
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