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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50213098'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50213098
PNG
((R,R)-(-)-fenoterol | CHEMBL388570 | US10617654, C...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1
PDB

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

US Patent
1.48E+4 -25.6n/an/an/an/an/a7.84



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50213098
PNG
((R,R)-(-)-fenoterol | CHEMBL388570 | US10617654, C...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1
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CHEMBL
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UniChem

Patents


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Article
PubMed
1.48E+4n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane


J Med Chem 50: 2903-15 (2007)


Article DOI: 10.1021/jm070030d
BindingDB Entry DOI: 10.7270/Q2R2112T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50213098
PNG
((R,R)-(-)-fenoterol | CHEMBL388570 | US10617654, C...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

US Patent
1.48E+7n/an/an/an/an/an/an/an/a



The USA, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
β1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988...


US Patent US10617654 (2020)


BindingDB Entry DOI: 10.7270/Q2N3010Z
More data for this
Ligand-Target Pair