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BDBM50292319 CHEMBL250316::N6-(2,2,6,6-tetramethylpiperidin-1-yloxyl-4-yl) adenosine

SMILES: CC1(C)CC(CC(C)(C)N1[O])Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=ZTWZYJHYVXEYCT-LSCFUAHRSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50292319   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50292319
PNG
(CHEMBL250316 | N6-(2,2,6,6-tetramethylpiperidin-1-...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |^1:10|
Show InChI InChI=1S/C19H29N6O5/c1-18(2)5-10(6-19(3,4)25(18)29)23-15-12-16(21-8-20-15)24(9-22-12)17-14(28)13(27)11(7-26)30-17/h8-11,13-14,17,26-28H,5-7H2,1-4H3,(H,20,21,23)/t11-,13-,14-,17-/m1/s1
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Article
PubMed
50n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A1 receptor


Bioorg Med Chem Lett 17: 5437-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.035
BindingDB Entry DOI: 10.7270/Q2VX0G7M
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50292319
PNG
(CHEMBL250316 | N6-(2,2,6,6-tetramethylpiperidin-1-...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |^1:10|
Show InChI InChI=1S/C19H29N6O5/c1-18(2)5-10(6-19(3,4)25(18)29)23-15-12-16(21-8-20-15)24(9-22-12)17-14(28)13(27)11(7-26)30-17/h8-11,13-14,17,26-28H,5-7H2,1-4H3,(H,20,21,23)/t11-,13-,14-,17-/m1/s1
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Article
PubMed
8.56E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A3 receptor


Bioorg Med Chem Lett 17: 5437-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.035
BindingDB Entry DOI: 10.7270/Q2VX0G7M
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50292319
PNG
(CHEMBL250316 | N6-(2,2,6,6-tetramethylpiperidin-1-...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |^1:10|
Show InChI InChI=1S/C19H29N6O5/c1-18(2)5-10(6-19(3,4)25(18)29)23-15-12-16(21-8-20-15)24(9-22-12)17-14(28)13(27)11(7-26)30-17/h8-11,13-14,17,26-28H,5-7H2,1-4H3,(H,20,21,23)/t11-,13-,14-,17-/m1/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2B receptor


Bioorg Med Chem Lett 17: 5437-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.035
BindingDB Entry DOI: 10.7270/Q2VX0G7M
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50292319
PNG
(CHEMBL250316 | N6-(2,2,6,6-tetramethylpiperidin-1-...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |^1:10|
Show InChI InChI=1S/C19H29N6O5/c1-18(2)5-10(6-19(3,4)25(18)29)23-15-12-16(21-8-20-15)24(9-22-12)17-14(28)13(27)11(7-26)30-17/h8-11,13-14,17,26-28H,5-7H2,1-4H3,(H,20,21,23)/t11-,13-,14-,17-/m1/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Binding affinity to adenosine A2A receptor


Bioorg Med Chem Lett 17: 5437-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.035
BindingDB Entry DOI: 10.7270/Q2VX0G7M
More data for this
Ligand-Target Pair