BDBM50292320 CHEMBL400746::N-(4-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-ylamino)phenethyl)-2-hydroxy-1,1,3,3-tetramethylisoindoline-5-carboxamide::N6-[4-[2-[1,1,3,3-tetramethylisoindol-2-yloxyl-5amido]ethyl]phenyl]adenosine::VCP-102

SMILES CC1(C)N([O])C(C)(C)c2cc(ccc12)C(=O)NCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1

InChI Key InChIKey=JPHGWCUCQLEZCX-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50292320   

TargetAdenosine receptor A1(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50292320(VCP-102 | N-(4-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(...)
Affinity DataKi:  7nMAssay Description:Binding affinity to adenosine A1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50292320(VCP-102 | N-(4-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(...)
Affinity DataKi:  7nMAssay Description:Binding affinity to adenosine A3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50292320(VCP-102 | N-(4-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(...)
Affinity DataKi:  230nMAssay Description:Binding affinity to adenosine A3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50292320(VCP-102 | N-(4-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(...)
Affinity DataKi:  1.45E+3nMAssay Description:Binding affinity to adenosine A2B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Monash University (Parkville Campus)

Curated by ChEMBL
LigandPNGBDBM50292320(VCP-102 | N-(4-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to adenosine A2A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed