BDBM50591166 CHEMBL5189470

SMILES COc1cc(Nc2nc(CNCc3cccnc3)cc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC

InChI Key InChIKey=KETNTKCUALKWED-UHFFFAOYSA-N

Data  2 KI  2 IC50  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50591166   

TargetAdenosine receptor A1(Homo sapiens (Human))
National And Kapodistrian University Of Athens

Curated by ChEMBL
LigandPNGBDBM50591166(CHEMBL5189470)
Affinity DataKi:  59nMAssay Description:Binding affinity to wild type A1R (unknown origin) expressed in CHO-K1 cells assessed as equilibrium binding affinity constant by nanoBRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National And Kapodistrian University Of Athens

Curated by ChEMBL
LigandPNGBDBM50591166(CHEMBL5189470)
Affinity DataKi:  468nMAssay Description:Binding affinity to wild type A3R (unknown origin) expressed in CHO-K1 cells assessed as equilibrium binding affinity constant by nanoBRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
National And Kapodistrian University Of Athens

Curated by ChEMBL
LigandPNGBDBM50591166(CHEMBL5189470)
Affinity DataKd:  29nMAssay Description:Binding affinity to Nluc-A1R (unknown origin) expressed in HEK293 cells by nanoBRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National And Kapodistrian University Of Athens

Curated by ChEMBL
LigandPNGBDBM50591166(CHEMBL5189470)
Affinity DataKd:  100nMAssay Description:Binding affinity to Nluc-A3R (unknown origin) expressed in HEK293 cells by nanoBRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National And Kapodistrian University Of Athens

Curated by ChEMBL
LigandPNGBDBM50591166(CHEMBL5189470)
Affinity DataKd:  129nMAssay Description:Binding affinity to wild type A3R (unknown origin) expressed in Flp-In-CHO cells assessed as dissociation constant by by Schild analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National And Kapodistrian University Of Athens

Curated by ChEMBL
LigandPNGBDBM50591166(CHEMBL5189470)
Affinity DataIC50:  8.90nMAssay Description:Antagonist activity at wild type A3R (unknown origin) expressed in Flp-In-CHO cells assessed as inhibition of NECA reduced forskolin stimulated cAMP ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
National And Kapodistrian University Of Athens

Curated by ChEMBL
LigandPNGBDBM50591166(CHEMBL5189470)
Affinity DataIC50:  12nMAssay Description:Antagonist activity at wild type A1R (unknown origin) expressed in CHO-K1 cells assessed as inhibition of NECA reduced forskolin stimulated cAMP accu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed