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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 = 'BDBM50071290'   
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))		BDBM50071290
PNG
(CHEMBL304090 | N-(4-{2-[(S)-3-(6-Amino-pyridin-3-y...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(N)nc2)cc1
Show InChI InChI=1S/C24H30N4O4S/c1-2-18-5-10-23(11-6-18)33(30,31)28-20-7-3-19(4-8-20)13-14-26-15-21(29)17-32-22-9-12-24(25)27-16-22/h3-12,16,21,26,28-29H,2,13-15,17H2,1H3,(H2,25,27)/t21-/m0/s1
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n/an/a 440n/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