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2 similar compounds to monomer 50292219

Compile data set for download or QSAR
Wt: 316.4
BDBM25767
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 25767   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25767
PNG
(Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...)
Show SMILES CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3
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DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 5.35n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25767
PNG
(Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...)
Show SMILES CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 158n/an/an/an/an/a



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25767
PNG
(Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...)
Show SMILES CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.210n/an/an/an/an/a



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair