Compile Data Set for Download or QSAR
Report error Found 40 Enz. Inhib. hit(s) with all data for entry = 50017747
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291729(US9580437, Example 44 | N-((5-fluoro-2,3-dihydrobe...)
Affinity DataIC50: 19nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291701(US9580437, Example 16 | N-((2,3-dihydrobenzofuran-...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291702(US9580437, Example 17 | N-((2,3-dihydrobenzofuran-...)
Affinity DataIC50: 160nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291702(US9580437, Example 17 | N-((2,3-dihydrobenzofuran-...)
Affinity DataIC50: 200nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50604673(CHEMBL5197950)
Affinity DataIC50: 400nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetSynaptic vesicular amine transporter(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of vesicular monoamine transporter 2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291701(US9580437, Example 16 | N-((2,3-dihydrobenzofuran-...)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of human Phosphodiesterase 4DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAlpha-2C adrenergic receptor(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291701(US9580437, Example 16 | N-((2,3-dihydrobenzofuran-...)
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of alpha2c adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 6.40E+3nMAssay Description:Inhibition of human Phosphodiesterase 4DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291742(US9580437, Example 57 | N-((5-fluoro-2,3-dihydrobe...)
Affinity DataIC50: 7.40E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAlpha-2C adrenergic receptor(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50604672(CHEMBL5178464)
Affinity DataIC50: 8.70E+3nMAssay Description:Inhibition of alpha2c adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 8.90E+3nMAssay Description:Agonist activity at muscarinic M2 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50604672(CHEMBL5178464)
Affinity DataIC50: 9.50E+3nMAssay Description:Antagonist activity against alpha2a adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 9.60E+3nMAssay Description:Agonist activity at adrenergic receptor alpha2a (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291702(US9580437, Example 17 | N-((2,3-dihydrobenzofuran-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human Phosphodiesterase 4DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291701(US9580437, Example 16 | N-((2,3-dihydrobenzofuran-...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAlpha-2C adrenergic receptor(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM225230(EED226 | US11013745, Compound EED226)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of alpha2c adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM225230(EED226 | US11013745, Compound EED226)
Affinity DataIC50: 1.50E+4nMAssay Description:Antagonist activity against alpha2a adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of CYP2D6 human liver microsomes using bufuralol as substrate incubated for 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A5(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of CYP3A5 in human liver microsomes by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of CYP2C9 human liver microsomes using diclofenac as substrate incubated for 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50604672(CHEMBL5178464)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50604672(CHEMBL5178464)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM225230(EED226 | US11013745, Compound EED226)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human Phosphodiesterase 4DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50604672(CHEMBL5178464)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50604674(CHEMBL5186280)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291701(US9580437, Example 16 | N-((2,3-dihydrobenzofuran-...)
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAlpha-2C adrenergic receptor(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291702(US9580437, Example 17 | N-((2,3-dihydrobenzofuran-...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of alpha2c adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of hERG potassium channel in HEK293 cells by Q-patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(US9580437, Example 2 | N-((5-Fluoro-2,3-dihydroben...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of hERG potassium channel in HEK293 cells by manual patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291852(US9580437, Example 167 | 8-(2,6-dimethylpyridin-3-...)
Affinity DataIC50: 3.10E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM225230(EED226 | US11013745, Compound EED226)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50604675(CHEMBL5202848)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM225230(EED226 | US11013745, Compound EED226)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM225230(EED226 | US11013745, Compound EED226)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291702(US9580437, Example 17 | N-((2,3-dihydrobenzofuran-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed