BDBM50517292 CHEMBL4470080

SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12

InChI Key InChIKey=KATPAPFGRPJUHJ-UHFFFAOYSA-N

Data  8 KI

  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 11 hits for monomerid = 50517292   

TargetAdenosine receptor A1(Mouse)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517292(CHEMBL4470080)
Affinity DataKi:  2.5nMAssay Description:Displacement of [3H]N6-R-phenylisopropyladenosine from mouse A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50517292(CHEMBL4470080)
Affinity DataKi:  9nMAssay Description:Binding affinity to A1AR (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50517292(CHEMBL4470080)
Affinity DataKi:  9nMAssay Description:Displacement of [3H]N6-R-phenylisopropyladenosine from human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50517292(CHEMBL4470080)
Affinity DataKi:  136nMAssay Description:Binding affinity to 5HT2B receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50517292(CHEMBL4470080)
Affinity DataKi:  153nMAssay Description:Inhibition of 5HT2B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517292(CHEMBL4470080)
Affinity DataKi:  238nMAssay Description:Inhibition of 5HT2C (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517292(CHEMBL4470080)
Affinity DataKi:  368nMAssay Description:Binding affinity to 5HT2C receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetAdenosine receptor A3(Mouse)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517292(CHEMBL4470080)
Affinity DataKi:  612nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from mouse A3A adenosine receptor expressed in CHO cell membranes after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetTranslocator protein(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517292(CHEMBL4470080)
Affinity DataKi:  2.93E+3nMAssay Description:Inhibition of TSPO (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517292(CHEMBL4470080)
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of muscarinic M3 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517292(CHEMBL4470080)
Affinity DataKi:  4.75E+3nMAssay Description:Inhibition of DAT (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed