BDBM50023390 CHEMBL163574::{4-[1-(4-Amino-benzyl)-2,6-dioxo-3-propyl-2,3,6,9-tetrahydro-1H-purin-8-yl]-phenoxy}-acetic acid

SMILES CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1

InChI Key InChIKey=WSTWMFPZDRAATE-UHFFFAOYSA-N

Data  1 KI  2 IC50  1 Kd

  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 4 hits for monomerid = 50023390   

TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
University Of Virginia School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50023390(CHEMBL163574 | {4-[1-(4-Amino-benzyl)-2,6-dioxo-3-...)
Affinity DataKi:  2.30E+4nMAssay Description:Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human plateletsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of Virginia School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50023390(CHEMBL163574 | {4-[1-(4-Amino-benzyl)-2,6-dioxo-3-...)
Affinity DataIC50:  44nMAssay Description:Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(BOVINE)
University Of Virginia School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50023390(CHEMBL163574 | {4-[1-(4-Amino-benzyl)-2,6-dioxo-3-...)
Affinity DataKd:  44nMAssay Description:Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of Virginia School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50023390(CHEMBL163574 | {4-[1-(4-Amino-benzyl)-2,6-dioxo-3-...)
Affinity DataIC50:  5.20nMAssay Description:Binding affinity to adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed