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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 = 'BDBM50477615'   
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))		BDBM50477615
PNG
(CHEMBL245673)
Show SMILES C[C@H](CNc1cccc(c1)-c1occc1C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H23ClN2O4/c1-14(24-13-20(26)15-4-2-6-17(23)10-15)12-25-18-7-3-5-16(11-18)21-19(22(27)28)8-9-29-21/h2-11,14,20,24-26H,12-13H2,1H3,(H,27,28)/t14-,20+/m1/s1
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n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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

Bioorg Med Chem Lett 17: 4670-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.069
BindingDB Entry DOI: 10.7270/Q2NV9N1V
More data for this
Ligand-Target Pair