BDBM50299696 (2S,3S,4R,5S)-5-(6-(cyclopentylamino)-9H-purin-8-yl)-3,4-dihydroxy-N-(1-(4-(N-(1-phenethylpiperidin-4-yl)propionamido)phenyl)ethyl)tetrahydrofuran-2-carboxamide::CHEMBL572393

SMILES CCC(=O)N(c1ccc(C(C)NC(=O)[C@H]2O[C@@H](c3nc4ncnc(NC5CCCC5)c4[nH]3)[C@H](O)[C@@H]2O)cc1)C1CCN(CCc2ccccc2)CC1

InChI Key InChIKey=BNEDSCDAJNXWFC-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50299696   

TargetMu-type opioid receptor(Human)
Aix-Marseille Universit£

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50299696BDBM50299696((2S,3S,4R,5S)-5-(6-(cyclopentylamino)-9H-purin-8-y...)
Affinity DataKi:  728nMAssay Description:Binding affinity to mu opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Aix-Marseille Universit£

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50299696BDBM50299696((2S,3S,4R,5S)-5-(6-(cyclopentylamino)-9H-purin-8-y...)
Affinity DataKi:  800nMAssay Description:Binding affinity to adenosine receptor A1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Aix-Marseille Universit£

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50299696BDBM50299696((2S,3S,4R,5S)-5-(6-(cyclopentylamino)-9H-purin-8-y...)
Affinity DataKi: >4.00E+4nMAssay Description:Binding affinity to adenosine receptor A2AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed