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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50525093'   
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


(Mus musculus)		BDBM50525093
PNG
(CHEMBL4437939)
Show SMILES COc1cc(CCNCCCOc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C27H33NO5/c1-31-27-19-22(10-13-26(27)33-17-5-9-21-7-3-2-4-8-21)14-16-28-15-6-18-32-23-11-12-24(29)25(30)20-23/h2-4,7-8,10-13,19-20,28-30H,5-6,9,14-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.20E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg (FAU)

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP-12177 from murine beta1-adrenergic receptor expressed in HEK293T cells after 60 mins by radioligand competition binding assa...

J Med Chem 62: 5111-5131 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00349
BindingDB Entry DOI: 10.7270/Q2DZ0CRD
More data for this
Ligand-Target Pair