BDBM50591160 CHEMBL5173159

SMILES COc1cc(Nc2nc(cc3c(n[nH]c23)C(C)C)C#N)cc(OC)c1OC

InChI Key InChIKey=ZKRZYUNDJIOAPW-UHFFFAOYSA-N

Data  2 KI  2 IC50  2 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 6 hits for monomerid = 50591160   

TargetAdenosine receptor A1(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591160(CHEMBL5173159)
Affinity DataKi:  12nMAssay 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(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591160(CHEMBL5173159)
Affinity DataKi:  603nMAssay 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(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591160(CHEMBL5173159)
Affinity DataKd:  14nMAssay 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 A1(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591160(CHEMBL5173159)
Affinity DataIC50:  3.20nMAssay 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
TargetAdenosine receptor A3(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591160(CHEMBL5173159)
Affinity DataIC50:  3.80nMAssay 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 A3(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591160(CHEMBL5173159)
Affinity DataKd:  355nMAssay 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