BDBM50300291 (1'S,2'R,3'S,4'S,5'S)-4'-[6-(3-Chlorobenzylamino)-2-(4-hydroxycarbonyl)-1-butynyl)-9-yl]-20,30-dihydroxybicyclo[3.1.0]hexane-1'-carboxylic AcidN-Methylamide::CHEMBL573713

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)=O

InChI Key InChIKey=SAWDVFUJIIOAEG-VTOGDGFCSA-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 = 50300291   

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

Curated by ChEMBL
LigandPNGBDBM50300291((1'S,2'R,3'S,4'S,5'S)-4'-[6-(3-Chlorobenzylamino)-...)
Affinity DataKi:  61.1nMAssay 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 DepthDetails ArticlePubMed