BDBM21958 2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperidin-4-yl)-1H-indole Hydrochloride::US10660877, Example 1

SMILES Cc1cc(cc(n1)C)c2c(c3cc(ccc3[nH]2)C4CCNCC4)C(C)C

InChI Key InChIKey=XSXCQWXAFRASGU-UHFFFAOYSA-N

Data  15 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 21958   

TargetToll-like receptor 9(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 302nMAssay Description:HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2021
Entry Details
Go to US Patent

TargetToll-like receptor 7(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 0.700nMAssay Description:HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2021
Entry Details
Go to US Patent

TargetToll-like receptor 8(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 3.20nMAssay Description:HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetToll-like receptor 7(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 0.700nMAssay Description:Antagonist activity at gardiquimod stimulated human TRL7 overexpressed in HEK293 cells assessed as inhibition of NF kappa B/Ap-1 activation preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetToll-like receptor 8(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 3.20nMAssay Description:Antagonist activity at R848 stimulated human TRL8 overexpressed in HEK293 cells assessed as inhibition of NF kappa B/Ap-1 activation preincubated wit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetToll-like receptor 9(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 350nMAssay Description:Antagonist activity at ODN2006 stimulated human TRL9 overexpressed in HEK293 cells assessed as inhibition of NF kappa B/Ap-1 activation preincubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetToll-like receptor 3(Human)
Biocon Bristol Myers Squibb Research Center (Bbrc)

Curated by ChEMBL
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at Poly C stimulated human TRL3 overexpressed in HEK293 cells assessed as inhibition of NF kappa B/Ap-1 activation preincubated w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetToll-like receptor 4(Human)
Biocon Bristol Myers Squibb Research Center (Bbrc)

Curated by ChEMBL
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at LPD-RK stimulated human TRL4 overexpressed in HEK293 cells assessed as inhibition of NF kappa B/Ap-1 activation preincubated w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetToll-like receptor 9(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 560nMAssay Description:Antagonist activity at ODN-2216 stimulated TLR9 in human PBMC cells assessed as inhibition of IL-6 production by ELISA analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetToll-like receptor 7(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 1nMAssay Description:Antagonist activity at gardiquimod stimulated TRL7 in human PBMC cells assessed as inhibition of IL-6 production by ELISA analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetToll-like receptor 9(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 2.00E+3nMAssay Description:Antagonist activity at ODN-2216 stimulated TLR9 in human whole blood assessed as inhibition of IL-6 production by ELISA analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetToll-like receptor 8(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 4.20nMAssay Description:Antagonist activity at R848 stimulated TRL8 in human whole blood assessed as inhibition of IL-6 production by ELISA analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetToll-like receptor 7(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 1.40nMAssay Description:Antagonist activity at gardiquimod stimulated TRL7 in human whole blood assessed as inhibition of IL-6 production by ELISA analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetToll-like receptor 9(Mouse)
Biocon Bristol Myers Squibb Research Center (Bbrc)

Curated by ChEMBL
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 5.00E+3nMAssay Description:Antagonist activity at ODN-2216 stimulated TLR9 in mouse whole blood assessed as inhibition of IL-6 production by ELISA analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetToll-like receptor 7(Mouse)
Biocon Bristol Myers Squibb Research Center (Bbrc)

Curated by ChEMBL
LigandPNGBDBM21958(2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...)
Affinity DataIC50: 0.300nMAssay Description:Antagonist activity at gardiquimod stimulated TRL7 in mouse whole blood assessed as inhibition of IL-6 production by ELISA analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed