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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 = 'BDBM50369511'   
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))
BDBM50369511
PNG
(CHEMBL605468)
Show SMILES CNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C19H22N6O4/c1-20-13(26)7-12-15(27)16(28)19(29-12)25-10-24-14-17(22-9-23-18(14)25)21-8-11-5-3-2-4-6-11/h2-6,9-10,12,15-16,19,27-28H,7-8H2,1H3,(H,20,26)(H,21,22,23)/t12-,15+,16+,19?/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
41n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity athuman Adenosine A3 receptor expressed in HEK 293 cells by [125I]AB-MECA displacement.


J Med Chem 42: 1393-400 (1999)


Article DOI: 10.1021/jm981090+
BindingDB Entry DOI: 10.7270/Q2SB46DK
More data for this
Ligand-Target Pair