BDBM50300281 (1'S, 2'R, 3'S, 4'S, 5'S)-4'-[6-(3-Chlorobenzylamino)-2-(4-(beta-aminoethyl-Naminoethylaminocarbonyl)-1-butanyl)-9-yl]-2',3'-dihydroxybicyclo[3.1.0]hexane-1'-carboxylic acid N-methylamide::CHEMBL583746

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)NCCNCCN

InChI Key InChIKey=NRUJZDKFSIKSAB-SDSNXHIZSA-N

Data  2 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 2 hits for monomerid = 50300281   

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

Curated by ChEMBL
LigandPNGBDBM50300281((1'S, 2'R, 3'S, 4'S, 5'S)-4'-[6-(3-Chlorobenzylami...)
Affinity DataKi:  15.4nMAssay 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
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50300281((1'S, 2'R, 3'S, 4'S, 5'S)-4'-[6-(3-Chlorobenzylami...)
Affinity DataKi:  890nMAssay Description:Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed