BDBM50309488 CHEMBL591286::N-((2S,3S,4R,5R)-5-(6-(2,2-diphenylethylamino)-2-(2-(1-isopropyl-1H-imidazol-4-yl)ethylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)-2-phenylacetamide

SMILES CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)Cc5ccccc5)[C@@H](O)[C@H]4O)c3n2)c1

InChI Key InChIKey=XXBBLDMMOUVMOK-PNAREQLXSA-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 = 50309488   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50309488(CHEMBL591286 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...)
Affinity DataKi:  1.67E+3nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed