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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 = 'BDBM50243438'   
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))		BDBM50243438
PNG
(4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C27H30ClNO4/c1-18(2)14-22-15-20(8-11-25(22)27(31)32)19-6-9-24(10-7-19)33-13-12-29-17-26(30)21-4-3-5-23(28)16-21/h3-11,15-16,18,26,29-30H,12-14,17H2,1-2H3,(H,31,32)/t26-/m0/s1
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Article
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n/an/an/an/a 15n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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

J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair