BDBM50602668 CHEMBL5181821

SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(O)c3)nc(OC)nc12

InChI Key InChIKey=GJBHTDNKZRHMMV-BGCLTTEDSA-N

Data  3 KI  2 EC50

  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 = 50602668   

TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50602668(CHEMBL5181821)
Affinity DataKi:  3.90nMAssay Description:Displacement of [125I] N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3A receptor stably expressed in HEK293 cell membrane by ra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A3(Mus musculus)
National Institute Of Diabetes And Digestive And Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50602668(CHEMBL5181821)
Affinity DataKi:  5.40nMAssay Description:Displacement of [125I] N6-4-amino-3-iodobenzyl adenosine 5-N-methyluronamide from mouse A3A receptor stably expressed in HEK293 cell membrane by radi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50602668(CHEMBL5181821)
Affinity DataKi:  1.02E+4nMAssay Description:Displacement of [3H]-2-p-2-(carboxyethyl)phenyl-ethylamino-5'-N-ethylcarboxamidoadenosine from human A2A receptor stably expressed in HEK293 cell mem...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50602668(CHEMBL5181821)
Affinity DataEC50:  39nMAssay Description:Agonist activity at human adenosine A3A receptor stably expressed in HEK293 cells assessed as mini G-alpha recruitment potency by luciferase based Na...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50602668(CHEMBL5181821)
Affinity DataEC50:  50nMAssay Description:Agonist activity at human adenosine A3A receptor stably expressed in HEK293 cells assessed as beta arrestin 2 recruitment potency by luciferase based...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed