BDBM50116878 CHEMBL3612940

SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)cc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC

InChI Key InChIKey=DTTFXWQRYRYGNI-UHFFFAOYSA-N

Data  8 KI  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50116878   

TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50116878(CHEMBL3612940)
Affinity DataEC50:  1.5nMAssay Description:Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of cAMP productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2016
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50116878(CHEMBL3612940)
Affinity DataKi:  1.70nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adenosine A3 receptor expressed in CHO cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2016
Entry Details Article
PubMed
TargetTransmembrane domain-containing protein TMIGD3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50116878(CHEMBL3612940)
Affinity DataKi:  1.70nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3AR expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50116878(CHEMBL3612940)
Affinity DataKi:  16nMAssay Description:Binding affinity to mouse adenosine A3 receptor expressed in HEK293 cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2016
Entry Details Article
PubMed
TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50116878(CHEMBL3612940)
Affinity DataKi:  16nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from mouse A3AR expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetAdenosine receptor A3(Dog)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50116878(CHEMBL3612940)
Affinity DataKi:  49nMAssay Description:Binding affinity to canine adenosine A3 receptor expressed in HEK293 cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2016
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50116878(CHEMBL3612940)
Affinity DataKi:  2.50E+3nMAssay Description:Binding affinity to 5HT2B receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2016
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50116878(CHEMBL3612940)
Affinity DataKi: <1.00E+4nMAssay Description:Inhibition of [125I]RTI-55 binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50116878(CHEMBL3612940)
Affinity DataKi: <1.00E+4nMAssay Description:Inhibition of [3H]mazindol binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2019
Entry Details Article
PubMed