BDBM50406130 CHEMBL5272946::US20250026762, Compound 1

SMILES Fc1ccc(cc1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12

InChI Key InChIKey=CDUXPGVKEOGWKB-UHFFFAOYSA-N

Data  9 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50406130   

TargetCeramide glucosyltransferase(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406130(CHEMBL5272946 | US20250026762, Compound 1)
Affinity DataIC50: 34nMAssay Description:Inhibition of GCS in human fibroblastMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
Target5-hydroxytryptamine receptor 3A(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406130(CHEMBL5272946 | US20250026762, Compound 1)
Affinity DataIC50: 224nMAssay Description:Antagonist activity at human 5HT3A expressed in HEK293 cells incubated for 1 hr by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetCeramide glucosyltransferase(Mouse)
Merck

Curated by ChEMBL
LigandPNGBDBM50406130(CHEMBL5272946 | US20250026762, Compound 1)
Affinity DataIC50: 21nMAssay Description:Inhibition of GCS in mouse fibroblastMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406130(CHEMBL5272946 | US20250026762, Compound 1)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406130(CHEMBL5272946 | US20250026762, Compound 1)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406130(CHEMBL5272946 | US20250026762, Compound 1)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
LigandPNGBDBM50406130(CHEMBL5272946 | US20250026762, Compound 1)
Affinity DataEC50: >3.00E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
LigandPNGBDBM50406130(CHEMBL5272946 | US20250026762, Compound 1)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M5(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406130(CHEMBL5272946 | US20250026762, Compound 1)
Affinity DataIC50: 1.02E+4nMAssay Description:Inhibition of human muscarinic M5 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
LigandPNGBDBM50406130(CHEMBL5272946 | US20250026762, Compound 1)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of human alpha3beta4 nAChRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetCeramide glucosyltransferase(Mouse)
Merck

Curated by ChEMBL
LigandPNGBDBM50406130(CHEMBL5272946 | US20250026762, Compound 1)
Affinity DataEC50:  320nMAssay Description:Invivo inhibition of GCS in C57 mouse assessed as reduction in brain GlcCer d18:1/18:0 concentration measured after 8 hrs by LC-MS/MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetCeramide glucosyltransferase(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406130(CHEMBL5272946 | US20250026762, Compound 1)
Affinity DataEC50:  5.10nMAssay Description:Using Promega's UDP-Glo™ Glycosyltransferase assay kit (Promega Corporation, Madison, WI, USA (Promega)), GCS activity was indirectly measured by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2025
Entry Details
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