BDBM50586262 CHEMBL5091113

SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1

InChI Key InChIKey=JUSJRQVEHUHMRQ-WOJBJXKFSA-N

Data  12 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 12 hits for monomerid = 50586262   

TargetToll-like receptor 8(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50586262(CHEMBL5091113)
Affinity DataIC50:  3nMAssay Description:Antagonist activity at human TLR8 expressed in Drosophila S2 by TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50586262(CHEMBL5091113)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50586262(CHEMBL5091113)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetToll-like receptor 8(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50586262(CHEMBL5091113)
Affinity DataIC50:  0.0800nMAssay Description:Antagonist activity at human TLR8 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins followe...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetToll-like receptor 7(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50586262(CHEMBL5091113)
Affinity DataIC50:  7nMAssay Description:Antagonist activity at human TLR7 expressed in human PBMC cells assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins fo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetToll-like receptor 7(Mus musculus)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50586262(CHEMBL5091113)
Affinity DataIC50:  2nMAssay Description:Antagonist activity at mouse TLR7 expressed in human whole blood assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetToll-like receptor 4(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50586262(CHEMBL5091113)
Affinity DataIC50: >8.00E+3nMAssay Description:Antagonist activity at human TLR4 expressed in human PBMC cells assessed as inhibition of LPS stimulated TNF level preincubated for 30 mins followed ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetToll-like receptor 8(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50586262(CHEMBL5091113)
Affinity DataIC50:  0.600nMAssay Description:Antagonist activity at human TLR8 expressed in human whole blood assessed as inhibition of ssRNA stimulated TNF level preincubated for 30 mins follow...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetToll-like receptor 7(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50586262(CHEMBL5091113)
Affinity DataIC50:  4.90nMAssay Description:Antagonist activity at human TLR7 expressed in human whole blood assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetToll-like receptor 9(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50586262(CHEMBL5091113)
Affinity DataIC50:  390nMAssay Description:Antagonist activity at human TLR9 expressed in human whole blood assessed as inhibition of ODN2216 stimulated IFNalpha level preincubated for 30 mins...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetToll-like receptor 4(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50586262(CHEMBL5091113)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at human TLR4 expressed in human whole blood assessed as inhibition of LPS stimulated TNF level preincubated for 30 mins followed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetToll-like receptor 9(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50586262(CHEMBL5091113)
Affinity DataIC50: >570nMAssay Description:Antagonist activity at human TLR9 expressed in human PBMC cells assessed as inhibition of ODN2216 stimulated IFNalpha level preincubated for 30 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed