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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50318982'   
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


(Homo sapiens (Human))
BDBM50318982
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(C2=O)c34)CC1
Show InChI InChI=1S/C33H31N3O5/c37-22-15-21-5-3-7-25-30(21)26(16-22)33(40)36(32(25)39)17-20-11-13-35(14-12-20)18-23(38)19-41-29-10-4-9-28-31(29)24-6-1-2-8-27(24)34-28/h1-10,15-16,20,23,34,37-38H,11-14,17-19H2
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PC cid
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Article
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250n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta-1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318982
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(C2=O)c34)CC1
Show InChI InChI=1S/C33H31N3O5/c37-22-15-21-5-3-7-25-30(21)26(16-22)33(40)36(32(25)39)17-20-11-13-35(14-12-20)18-23(38)19-41-29-10-4-9-28-31(29)24-6-1-2-8-27(24)34-28/h1-10,15-16,20,23,34,37-38H,11-14,17-19H2
PDB

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KEGG

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 80n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair