BDBM50309798 1S,2R,3S,4R,5S)-6-(3-Chlorobenzylamino)-(2-(6-(1-(7-oxo-7-(6-(5-(3aS,4S,6aR)-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexylamino)heptyl)-1H-1,2,3-triazol-4-yl)hex-1-ynyl)-9H-purin-9-yl)-2',3'-dihydroxybicyclo[3.1.0]hexane-1'-carboxylic acid N-methylamide::CHEMBL589076

SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(CCCCCCC(=O)NCCOCOCOCOCNC2SCC3NC(=O)NC23)nn1

InChI Key InChIKey=CEALCIQCPCMMIL-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309798   

TargetAdenosine receptor A3(Human)
Niddk

Curated by ChEMBL
LigandPNGBDBM50309798(1S,2R,3S,4R,5S)-6-(3-Chlorobenzylamino)-(2-(6-(1-(...)
Affinity DataKi:  235nMAssay 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