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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50086674'   
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-2 adrenergic receptor


(Canis familiaris)		BDBM50086674
PNG
(6-{3-[4-(Furan-2-carbonyl)-piperazin-1-yl]-2-hydro...)
Show SMILES OC(COc1ccc2SCC(=O)Nc2c1)CN1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H23N3O5S/c24-14(12-28-15-3-4-18-16(10-15)21-19(25)13-29-18)11-22-5-7-23(8-6-22)20(26)17-2-1-9-27-17/h1-4,9-10,14,24H,5-8,11-13H2,(H,21,25)
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PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H]-DHA binding in rat lung; Not Active means Ki >1000 nM

Bioorg Med Chem Lett 10: 465-8 (2000)


BindingDB Entry DOI: 10.7270/Q2SJ1JVG
More data for this
Ligand-Target Pair