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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine A3 receptor' and Ligand = 'BDBM50389147'   
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
Adenosine A3 receptor


(Mus musculus)
BDBM50389147
PNG
(CHEMBL2064655)
Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1Cl
Show InChI InChI=1S/C28H24Cl2N6O3/c1-31-27(39)28-12-18(28)22(23(37)24(28)38)36-14-33-21-25(32-13-15-5-4-7-17(29)11-15)34-20(35-26(21)36)10-9-16-6-2-3-8-19(16)30/h2-8,11,14,18,22-24,37-38H,12-13H2,1H3,(H,31,39)(H,32,34,35)/t18-,22-,23+,24+,28+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from mouse adenosine A3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 55: 4847-60 (2012)


Article DOI: 10.1021/jm300396n
BindingDB Entry DOI: 10.7270/Q2765GCG
More data for this
Ligand-Target Pair