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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adrenergic beta-2 receptor (beta2)' and Ligand = 'BDBM50318980'   
Target
(Institution)
LigandTarget
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
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50318980
PNG
(1-(2-allylphenoxy)-3-(1-methylpiperidin-4-ylamino)...)
Show SMILES CN1CCC(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C18H28N2O2/c1-3-6-15-7-4-5-8-18(15)22-14-17(21)13-19-16-9-11-20(2)12-10-16/h3-5,7-8,16-17,19,21H,1,6,9-14H2,2H3
PDB
MMDB

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PC cid
PC sid
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Similars

AffyNet 
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Citation and Details
More data for this
Ligand-Target Pair