BDBM50527831 CHEMBL4571380

SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1

InChI Key InChIKey=VNPDINLPSRFSFN-UHFFFAOYSA-N

Data  9 KI  11 IC50  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 21 hits for monomerid = 50527831   

TargetCytochrome P450 3A4(Human)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataIC50: 2.23E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataIC50: 1.44E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin) using tolbutamide as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) using dextromethorphan as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataIC50: 2.23E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataEC50:  158nMAssay Description:Partial agonist activity at recombinant human A3AR expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation measure...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataIC50: 2.89E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataIC50: 1.44E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataIC50: 5.39E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataIC50: 2.89E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetAdenosine receptor A3(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataKi:  11nMAssay Description:Displacement of [125I]I-AB-MECA from recombinant human A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataKi:  11nMAssay Description:Displacement of [125I] N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3A receptor stably expressed in HEK293 cell membrane by ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataKi:  18nMAssay Description:Displacement of [125I] N6-4-amino-3-iodobenzyl adenosine 5-N-methyluronamide from mouse A3A receptor stably expressed in HEK293 cell membrane by radi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetAdenosine receptor A3(Mouse)
National Institute of Diabetes and Digestive and Kidney Disease

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataKi:  18nMAssay Description:Displacement of [125I]I-AB-MECA from recombinant mouse A3AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation countin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetAdenosine receptor A1(Mouse)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataKi:  590nMAssay Description:Displacement of [3H]R-PIA from recombinant mouse A1AR expressed in HEK293 cell membranes measured after 60 mins by liquid scintillation counting meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetAdenosine receptor A1(Mouse)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataKi:  590nMAssay Description:Displacement of [3H] N6-R-phenylisopropyladenosine from mouse A1A receptor stably expressed in HEK293 cell membrane by radioligand inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataKi:  1.98E+3nMAssay Description:Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) measured after 90 mins by microbeta counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetTranslocator protein(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataKi:  2.22E+3nMAssay Description:Inhibition of TSPO (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Medical College of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50527831(CHEMBL4571380)
Affinity DataKi:  3.57E+3nMAssay Description:Displacement of [3H]-Pentazocine from sigma 1 receptor (unknown origin) measured after 90 mins by microbeta counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed