BDBM50627976 CHEMBL5417170

SMILES Cc1cc(c2cnn(c2n1)C)N3CCc4c(c(nn4CC56CCC(CC5)(CC6)NC(=O)[C@@H]7COCCN7)C)C3

InChI Key InChIKey=OXDQXRVWDYGAHX-UHFFFAOYSA-N

Data  14 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50627976   

TargetToll-like receptor 7(Human)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 4nMAssay Description:Antagonist activity at TLR7 in human PBMC cells assessed as reduction in IFN alpha measured after 20 hrs by AlphaLISA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetToll-like receptor 8(Human)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 68nMAssay Description:Antagonist activity at TLR8 in human PBMC cells expressed in Drosophila S2 expression system assessed as reduction in IL-6 level measured after 20 hr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetToll-like receptor 9(Human)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at TLR9 in human PBMC cells assessed as reduction in IFN alpha measured after 20 hrs by AlphaLISA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetToll-like receptor 4(Human)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at TLR4 in human PBMC cells assessed as reduction in IL-6 level measured after 20 hrs by AlphaLISA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetToll-like receptor 4(Human)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at TLR4 in human Whole blood cell assessed as reduction in IL-6 level measured after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetToll-like receptor 8(Human)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 74nMAssay Description:Antagonist activity at TLR8 in human Whole blood cell expressed in Drosophila S2 expression system assessed as reduction in IL-6 level measured after...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetToll-like receptor 7(Human)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 7nMAssay Description:Antagonist activity at TLR7 in human Whole blood cell assessed as reduction in IFN-alpha level measured after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetToll-like receptor 9(Human)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 1.20E+3nMAssay Description:Antagonist activity at TLR9 in human Whole blood cell assessed as reduction in IFN-alpha level measured after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetToll-like receptor 7(Mouse)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 9nMAssay Description:Antagonist activity at TLR7 in mouse Splenocyte assessed as reduction in IFN-alpha level measured after 20 hrs by Spectramax M5 methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetToll-like receptor 9(Mouse)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at TLR9 in mouse Splenocyte assessed as reduction in IFN-alpha level measured after 20 hrs by Spectramax M5 methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetToll-like receptor 4(Mouse)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at TLR4 in mouse Splenocyte assessed as reduction IL-6 level measured after 20 hrs by Spectramax M5 methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetToll-like receptor 7(Mouse)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 51nMAssay Description:Antagonist activity at TLR7 in mouse Whole blood cell assessed as reduction in IFN-alpha level measured after 20 hrs by AlphaLISA methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetToll-like receptor 9(Mouse)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at TLR9 in mouse Whole blood cell assessed as reduction in IFN-alpha level measured after 20 hrs by AlphaLISA methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetToll-like receptor 4(Mouse)
Novartis Institutes for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50627976(CHEMBL5417170)
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity at TLR4 in mouse Whole blood cell assessed as reduction in IL-6 level measured after 20 hrs by HTRF methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed