BDBM291687 N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine::US11207325, Example 2::US9580437, Example 2

SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12

InChI Key InChIKey=XLIBABIFOBYHSV-UHFFFAOYSA-N

Data  25 IC50  2 Kd

PDB links: 2 PDB IDs match this monomer.

  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 27 hits for monomerid = 291687   

LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  5.90nMpH: 8.0Assay Description:To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...More data for this Ligand-Target Pair
TargetPolycomb protein EED(Human)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  5.90nMAssay Description:Inhibitory activity against Dihydrofolate reductase in Escherichia coliMore data for this Ligand-Target Pair
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  2.60nMAssay Description:Cell lysates were transferred to the wells of a 384-well plate and the final volume was adjusted to 50 μL per well with PBS. The plate was seale...More data for this Ligand-Target Pair
TargetPolycomb protein EED(Human)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataKd:  400nMAssay Description:Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
TargetPolycomb protein EED(Human)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  4.5nMAssay Description:Inhibition of biotinylated H3K27me3 peptide (19 to 33 residues) binding to His-tagged EED (1 to 441 residues) (unknown origin) incubated for 30 mins ...More data for this Ligand-Target Pair
TargetPolycomb protein EED(Human)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  5.90nMAssay Description:To assess the compounds potency in the EED-H3K27Me3 competition binding assay, compounds were serially diluted 3-fold in DMSO to obtain a total of tw...More data for this Ligand-Target Pair
TargetPolycomb protein EED(Human)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  8.90nMAssay Description:Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...More data for this Ligand-Target Pair
TargetPolycomb protein EED(Human)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  2.60nMAssay Description:Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...More data for this Ligand-Target Pair
TargetPolycomb protein EED(Human)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of EED in human G-401 cells assessed as reduction in H3K27 trimethylation incubated for 48 hrs by HTRF assayMore data for this Ligand-Target Pair
TargetPolycomb protein EED(Human)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  5nMAssay Description:Inhibition of EED in human G-401 cells assessed as reduction in H3K27 trimethylation incubated for 48 hrs by HTRF assayMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
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 DepthDetails PubMed
TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
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 DepthDetails PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
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 DepthDetails PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  6.40E+3nMAssay Description:Inhibition of human Phosphodiesterase 4DMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2A adrenergic receptor(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  9.60E+3nMAssay Description:Agonist activity at adrenergic receptor alpha2a (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  8.90E+3nMAssay Description:Agonist activity at muscarinic M2 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSynaptic vesicular amine transporter(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of vesicular monoamine transporter 2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
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 DepthDetails PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
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 DepthDetails PubMed
TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
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 DepthDetails PubMed
TargetCytochrome P450 2D6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
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 DepthDetails PubMed
TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
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 DepthDetails PubMed
TargetCytochrome P450 3A5(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
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 DepthDetails PubMed
TargetPolycomb protein EED(Human)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  5nMAssay Description:Inhibition of EED (unknown origin)More data for this Ligand-Target Pair
TargetPolycomb protein EED(Human)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataKd:  0.400nMAssay Description:Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
TargetPolycomb protein EED(Human)
University of Naples "Federico Ii

Curated by ChEMBL
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  60nMAssay Description:Inhibition of EED (unknown origin) by alpha screen binding assayMore data for this Ligand-Target Pair
LigandPNGBDBM291687(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)
Affinity DataIC50:  8.90nMpH: 8.0Assay Description:Representative compounds of the present disclosure were serially and separately diluted 3-fold in DMSO to obtain a total of eight or twelve concentra...More data for this Ligand-Target Pair