BDBM50300279 (1'S,2'R,3'S,4'S,5'S)-4'-[6-(3-Chlorobenzylamino)-2-(N-biotinyl{5-aminopentanyl}(beta-aminoethylaminocarbonyl)-1-butynyl)-9-yl]-2',3'-dihydroxybicyclo[3.1.0]hexane-1'-carboxylic AcidN-Methylamide::CHEMBL583748

SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCC(=O)NCCNC(=O)CCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12

InChI Key InChIKey=AHJQRNYCTYLVOX-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 = 50300279   

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50300279((1'S,2'R,3'S,4'S,5'S)-4'-[6-(3-Chlorobenzylamino)-...)
Affinity DataKi:  57.7nMAssay Description:Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed