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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 = 'BDBM50027811'   
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))		BDBM50027811
PNG
(CHEMBL422876)
Show SMILES C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C26H30ClN3O4S/c1-19(28-18-25(31)22-8-5-9-23(27)16-22)17-29-24-12-10-20(11-13-24)14-15-35(33,34)30-26(32)21-6-3-2-4-7-21/h2-13,16,19,25,28-29,31H,14-15,17-18H2,1H3,(H,30,32)/t19-,25+/m1/s1
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PubMed
n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of human beta 1 adrenergic receptor (AR), expressed in CHO cells.

J Med Chem 45: 567-83 (2002)


BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair