BDBM50317887 CHEMBL1094995::N6-[4-[2-[3,5-di-tert-butylbenzamido]ethyl]phenyl]adenosine-5'-N-methylcarboxamide

SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CCNC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)ncnc12

InChI Key InChIKey=ORHQWTJAQBOXCQ-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50317887   

TargetAdenosine receptor A3(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50317887(N6-[4-[2-[3,5-di-tert-butylbenzamido]ethyl]phenyl]...)
Affinity DataKi:  2.25nMAssay Description:Displacement of [125I]ABA from human recombinant adenosine A3 receptor by rapid filtration techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50317887(N6-[4-[2-[3,5-di-tert-butylbenzamido]ethyl]phenyl]...)
Affinity DataKi:  245nMAssay Description:Displacement of [125I]ABA from human recombinant adenosine A1 receptor by rapid filtration techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50317887(N6-[4-[2-[3,5-di-tert-butylbenzamido]ethyl]phenyl]...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor by rapid filtration techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed