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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 beta-3 adrenergic receptor' and Ligand = 'BDBM50006958'   
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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50006958
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C24H27N5O3/c1-32-20-10-5-4-9-19(20)28-15-13-27(14-16-28)11-6-12-29-23(30)22-21(26-24(29)31)17-7-2-3-8-18(17)25-22/h2-5,7-10,25H,6,11-16H2,1H3,(H,26,31)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.18E+3n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor in human periipheral mononuclear leukocyte membranes using [125I]-pindolol


J Med Chem 34: 1850-4 (1991)


Article DOI: 10.1021/jm00110a014
BindingDB Entry DOI: 10.7270/Q25B01FV
More data for this
Ligand-Target Pair