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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 = 'BDBM50372699'   
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))		BDBM50372699
PNG
(CHEMBL537693)
Show SMILES OC(CNCCc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClNO5/c25-19-3-1-2-18(14-19)23(27)15-26-13-12-17-4-6-21(7-5-17)31-22-10-8-20(9-11-22)30-16-24(28)29/h1-11,14,23,26-27H,12-13,15-16H2,(H,28,29)
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Article
PubMed
n/an/an/an/a 37n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA

J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair