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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 = 'BDBM50404977'   
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


(GUINEA PIG)
BDBM50404977
PNG
(CHEMBL11671)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29)
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.851n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404977
PNG
(CHEMBL11671)
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(c[nH]2)-c2cccs2)cc1OC
Show InChI InChI=1S/C26H29N3O4S/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29)
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 4.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair