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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 = 'BDBM50265531'   
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))		BDBM50265531
PNG
(CHEMBL4105097)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(C)n[nH]c2c1 |r|
Show InChI InChI=1S/C21H28N4O4S/c1-14(2)30(27,28)25-17-6-4-5-16(11-17)21(26)13-22-9-10-29-18-7-8-19-15(3)23-24-20(19)12-18/h4-8,11-12,14,21-22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 70n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cyclic AMP after 30 mins

J Med Chem 60: 3252-3265 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01197
BindingDB Entry DOI: 10.7270/Q2M61NQX
More data for this
Ligand-Target Pair