BDBM50517306 CHEMBL4572905

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

InChI Key InChIKey=DPXIOJTWLPIVJN-UHFFFAOYSA-N

Data  6 KI

  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 9 hits for monomerid = 50517306   

TargetAdenosine receptor A1(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50517306(CHEMBL4572905)
Affinity DataKi:  74nMAssay 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
LigandPNGBDBM50517306(CHEMBL4572905)
Affinity DataKi:  74nMAssay 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 2C(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517306(CHEMBL4572905)
Affinity DataKi:  89nMAssay 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 2B(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517306(CHEMBL4572905)
Affinity DataKi:  97nMAssay 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 2B(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517306(CHEMBL4572905)
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 2C(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517306(CHEMBL4572905)
Affinity DataKi:  351nMAssay 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(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517306(CHEMBL4572905)
Affinity DataKi:  1.16E+3nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from human 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
TargetSigma intracellular receptor 2(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517306(CHEMBL4572905)
Affinity DataKi:  2.02E+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
TargetMuscarinic acetylcholine receptor M3(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50517306(CHEMBL4572905)
Affinity DataKi:  5.90E+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