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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 = 'BDBM50019457'   
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


(Rattus norvegicus)
BDBM50019457
PNG
(2-Diethylamino-N-[4-(2-fluoro-benzoyl)-2,5-dimethy...)
Show SMILES CCN(CC)CC(=O)Nc1c(C(=O)c2ccccc2F)c(C)nn1C
Show InChI InChI=1S/C18H23FN4O2/c1-5-23(6-2)11-15(24)20-18-16(12(3)21-22(18)4)17(25)13-9-7-8-10-14(13)19/h7-10H,5-6,11H2,1-4H3,(H,20,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against the beta-2 adrenergic receptor using [3H]- DHA


J Med Chem 29: 1628-37 (1986)


BindingDB Entry DOI: 10.7270/Q2319TVF
More data for this
Ligand-Target Pair