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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 = 'BDBM50071280'   
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))		BDBM50071280
PNG
(CHEMBL68408 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-yl...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C29H40N6O5S/c1-2-3-4-5-17-32-29(37)34-23-10-13-27(14-11-23)41(38,39)35-24-8-6-22(7-9-24)16-18-31-19-25(36)21-40-26-12-15-28(30)33-20-26/h6-15,20,25,31,35-36H,2-5,16-19,21H2,1H3,(H2,30,33)(H2,32,34,37)/t25-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell

Bioorg Med Chem Lett 8: 2111-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair