BDBM50004461 (2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide::1, HENECA::5-(6-Amino-2-hex-1-ynyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide::HE-NECA::HENECA

SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@H](O)C3O)C(=O)NCC)c2n1

InChI Key InChIKey=FDEACFAXFCKCHZ-FEWYLQRLSA-N

Data  6 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 6 hits for monomerid = 50004461   

TargetAdenosine receptor A2a(Rattus norvegicus (rat))
UniversitÀ

Curated by PDSP Ki Database
LigandPNGBDBM50004461((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...)
Affinity DataKi:  2.20nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universitat Wurzburg

Curated by PDSP Ki Database
LigandPNGBDBM50004461((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...)
Affinity DataKi:  2.40nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universitat Wurzburg

Curated by PDSP Ki Database
LigandPNGBDBM50004461((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...)
Affinity DataKi:  6.40nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
UniversitÀ

Curated by PDSP Ki Database
LigandPNGBDBM50004461((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...)
Affinity DataKi:  130nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universitat Wurzburg

Curated by PDSP Ki Database
LigandPNGBDBM50004461((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...)
Affinity DataKi:  740nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universitat Wurzburg

Curated by PDSP Ki Database
LigandPNGBDBM50004461((2S,3R,5R)-5-[6-amino-2-(hex-1-yn-1-yl)-9H-purin-9...)
Affinity DataKi:  750nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed