BDBM50205583 (2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy)phenylamino)-9H-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::1-deoxy-1-[6-{4-[(benzylcarbamoyl)-methoxy]-phenylamino}-9H-purin-9-yl]-N-beta-D-ribofuranuronamide::CHEMBL375501

SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)NCc4ccccc4)cc3)ncnc12

InChI Key InChIKey=QHELZZNMVAGGIB-UHFFFAOYSA-N

Data  3 KI  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50205583   

TargetAdenosine receptor A1(Human)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50205583((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...)
Affinity DataKi:  20.4nMAssay Description:Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50205583((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...)
Affinity DataKi:  82.7nMAssay Description:Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50205583((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...)
Affinity DataEC50:  150nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of cAMP productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50205583((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50205583((2S,3S,4R,5R)-5-(6-(4-(2-(benzylamino)-2-oxoethoxy...)
Affinity DataEC50:  6.67E+6nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as stimulation of adenylate cyclaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed