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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50096769'   
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-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50096769
PNG
(CHEMBL124863 | Cyanoguanidine derivative)
Show SMILES O[C@@H](CNCCc1ccc(NC(Nc2cccc(Oc3ccccc3)c2)=NC#N)cc1)c1cccnc1 |w:26.28|
Show InChI InChI=1S/C29H28N6O2/c30-21-33-29(35-25-7-4-10-27(18-25)37-26-8-2-1-3-9-26)34-24-13-11-22(12-14-24)15-17-32-20-28(36)23-6-5-16-31-19-23/h1-14,16,18-19,28,32,36H,15,17,20H2,(H2,33,34,35)/t28-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at human beta-3 adrenergic receptor.

Bioorg Med Chem Lett 11: 379-82 (2001)


BindingDB Entry DOI: 10.7270/Q2CR5SNJ
More data for this
Ligand-Target Pair