BDBM50517295 CHEMBL2170801

SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CCCC3)C3CCCC3)nc(Cl)nc12

InChI Key InChIKey=ABFIZLKSVSXUKS-UHFFFAOYSA-N

Data  3 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 10 hits for monomerid = 50517295   

TargetKappa-type opioid receptor(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50517295(CHEMBL2170801)
Affinity DataKi:  110nMAssay Description:Binding affinity to KOR (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
LigandPNGBDBM50517295(CHEMBL2170801)
Affinity DataKi:  436nMAssay Description:Displacement of [3H]-mesulergine from human A1AR expressed in Flp-In-T-REx-293 cells 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)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50517295(CHEMBL2170801)
Affinity DataKi:  536nMAssay Description:Displacement of [3H]-Mesulergine from human 5-HT2C expressed in Flp-In-T-REx-293 cells assessed as inhibition constant incubated for 1 hrMore 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
LigandPNGBDBM50517295(CHEMBL2170801)
Affinity DataKi:  797nMAssay Description:Displacement of [3H]-LSD from human 5-HT2B receptor expressed in HEK cells assessed as inhibition constant incubated for 1 hrMore 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
LigandPNGBDBM50517295(CHEMBL2170801)
Affinity DataKi:  2.01E+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
LigandPNGBDBM50517295(CHEMBL2170801)
Affinity DataKi:  2.92E+3nMAssay 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
TargetMu-type opioid receptor(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50517295(CHEMBL2170801)
Affinity DataKi:  3.50E+3nMAssay Description:Binding affinity to MOR (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetDelta-type opioid receptor(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50517295(CHEMBL2170801)
Affinity DataKi:  3.90E+3nMAssay Description:Binding affinity to DOR (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)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50517295(CHEMBL2170801)
Affinity DataKi:  4.38E+3nMAssay Description:Displacement of [3H]-CGS21680 from human A3AR expressed in HEK cells 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
LigandPNGBDBM50517295(CHEMBL2170801)
Affinity DataKi:  5.09E+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