BDBM50517290 CHEMBL4554295

SMILES [H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12

InChI Key InChIKey=KVDBXTJKVCKWRR-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 = 50517290   

TargetAdenosine receptor A1(Mouse)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517290(CHEMBL4554295)
Affinity DataKi:  1.10nMAssay 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
LigandPNGBDBM50517290(CHEMBL4554295)
Affinity DataKi:  33nMAssay 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
LigandPNGBDBM50517290(CHEMBL4554295)
Affinity DataKi:  33nMAssay 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
TargetAdenosine receptor A3(Mouse)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517290(CHEMBL4554295)
Affinity DataKi:  934nMAssay 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
Target5-hydroxytryptamine receptor 2B(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50517290(CHEMBL4554295)
Affinity DataKi:  1.09E+3nMAssay 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
TargetSigma intracellular receptor 2(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517290(CHEMBL4554295)
Affinity DataKi:  1.17E+3nMAssay Description:Inhibition of sigma receptor 2 (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)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50517290(CHEMBL4554295)
Affinity DataKi:  1.23E+3nMAssay 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
TargetSigma non-opioid intracellular receptor 1(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517290(CHEMBL4554295)
Affinity DataKi:  1.50E+3nMAssay Description:Inhibition of sigma receptor 1 (unknown origin)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
LigandPNGBDBM50517290(CHEMBL4554295)
Affinity DataKi:  2.01E+3nMAssay 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
TargetTranslocator protein(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517290(CHEMBL4554295)
Affinity DataKi:  2.02E+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
TargetAlpha-2A adrenergic receptor(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517290(CHEMBL4554295)
Affinity DataKi:  6.80E+3nMAssay Description:Inhibition of alpha2a receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed