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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 = 'BDBM50075911'   
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


(Homo sapiens (Human))		BDBM50075911
PNG
(4-[3-(3-Cyclopentyl-propyl)-2-oxo-2,3-dihydro-imid...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(CCCC3CCCC3)c2=O)cc1)c1cccnc1
Show InChI InChI=1S/C32H39N5O4S/c38-31(27-8-3-18-33-23-27)24-34-19-17-26-9-11-28(12-10-26)35-42(40,41)30-15-13-29(14-16-30)37-22-21-36(32(37)39)20-4-7-25-5-1-2-6-25/h3,8-16,18,21-23,25,31,34-35,38H,1-2,4-7,17,19-20,24H2/t31-/m0/s1
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PubMed
n/an/a 760n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair