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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 = 'BDBM50006954'   
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))
BDBM50006954
PNG
(2-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-4...)
Show SMILES Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C22H22ClN5O2/c23-16-6-2-4-8-18(16)27-12-9-26(10-13-27)11-14-28-21(29)20-19(25-22(28)30)15-5-1-3-7-17(15)24-20/h1-8,24H,9-14H2,(H,25,30)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/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