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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50180208'   
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 receptor A3


(Homo sapiens (Human))
BDBM50180208
PNG
((2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
Show InChI InChI=1S/C14H17ClN6O3S/c1-16-10-6-11(20-14(15)19-10)21(4-17-6)13-8(23)7(22)9(25-13)12(24)18-5-2-3-5/h4-5,7-9,13,22-23H,2-3H2,1H3,(H,18,24)(H,16,19,20)/t7-,8+,9-,13+/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.82n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells


J Med Chem 49: 273-81 (2006)


Article DOI: 10.1021/jm050595e
BindingDB Entry DOI: 10.7270/Q2736QG2
More data for this
Ligand-Target Pair