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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50199985'   
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 A1


(Homo sapiens (Human))
BDBM50199985
PNG
(CHEMBL218450 | N6-methyl-9-(beta-D-ribofuranosyl)-...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1ccnn1 |r|
Show InChI InChI=1S/C13H16N8O4/c1-14-10-7-11(18-13(17-10)21-3-2-16-19-21)20(5-15-7)12-9(24)8(23)6(4-22)25-12/h2-3,5-6,8-9,12,22-24H,4H2,1H3,(H,14,17,18)/t6-,8-,9-,12-/m1/s1
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Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human Adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair