BDBM50309790 (1S,2R,3S,4R,5S)-4'-(6-(3-Chlorobenzylamino)-2-(6-(1-(4-fluoro-3-nitrophenyl)-1H-1,2,3-triazol-4-yl)pent-1-ynyl)-9H-purin-9-yl)-2',3'-dihydroxybicyclo[3.1.0]hexane-1'-carboxylic acid N-methylamide::CHEMBL589261

SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCc1cn(nn1)-c1cccc(c1)[N+]([O-])=O

InChI Key InChIKey=IWUHYHCVHKXXDY-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309790   

TargetAdenosine receptor A3(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50309790((1S,2R,3S,4R,5S)-4'-(6-(3-Chlorobenzylamino)-2-(6-...)
Affinity DataKi:  26nMAssay Description:Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed