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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 = 'BDBM50119193'   
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))		BDBM50119193
PNG
(1-[4-(4-{[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyl...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNCC1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1cc(cn1)C(O)=O
Show InChI InChI=1S/C25H31N5O8S2/c1-39(35,36)28-22-12-18(2-7-23(22)31)24(32)15-26-13-17-8-10-29(11-9-17)40(37,38)21-5-3-20(4-6-21)30-16-19(14-27-30)25(33)34/h2-7,12,14,16-17,24,26,28,31-32H,8-11,13,15H2,1H3,(H,33,34)/t24-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor agonist activity as increased cAMP levels in CHO cells expressing human Beta1-adrenoreceptor

Bioorg Med Chem Lett 12: 2963-7 (2002)


BindingDB Entry DOI: 10.7270/Q2D21WZQ
More data for this
Ligand-Target Pair