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BDBM25765 Bupranolol::KL 255::Ophtorenin::tert-butyl[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]amine

SMILES: Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1

InChI Key: InChIKey=HQIRNZOQPUAHHV-UHFFFAOYSA-N

Data: 3 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 25765   
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))
BDBM25765
PNG
(Bupranolol | KL 255 | Ophtorenin | tert-butyl[3-(2...)
Show SMILES Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
Show InChI InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
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Article
PubMed
n/an/an/a 3.10n/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)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM25765
PNG
(Bupranolol | KL 255 | Ophtorenin | tert-butyl[3-(2...)
Show SMILES Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
Show InChI InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 91n/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)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25765
PNG
(Bupranolol | KL 255 | Ophtorenin | tert-butyl[3-(2...)
Show SMILES Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
Show InChI InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 0.140n/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)

More data for this
Ligand-Target Pair