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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 = 'BDBM50372675'   
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))		BDBM50372675
PNG
(CHEMBL272234)
Show SMILES O[C@@H](CNCCc1ccc(Oc2ccc(cn2)C(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21ClN2O4/c23-18-3-1-2-16(12-18)20(26)14-24-11-10-15-4-7-19(8-5-15)29-21-9-6-17(13-25-21)22(27)28/h1-9,12-13,20,24,26H,10-11,14H2,(H,27,28)/t20-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 1.40n/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