BDBM50107852 CHEMBL3601196::US9598440, 154

SMILES Cc1cc(Nc2cc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(cn2)-c2nc3ccccc3s2)cc(C)n1

InChI Key InChIKey=KYGDXANIBQBNCG-UHFFFAOYSA-N

Data  7 IC50

  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 7 hits for monomerid = 50107852   

TargetInterleukin-1 receptor-associated kinase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50107852(CHEMBL3601196 | US9598440, 154)
Affinity DataIC50: 14nMAssay Description:Inhibition of human IRAK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2016
Entry Details Article
PubMed
TargetInterleukin-1 receptor-associated kinase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50107852(CHEMBL3601196 | US9598440, 154)
Affinity DataIC50: 3.45E+3nMAssay Description:Inhibition of IRAK4-dependent TLR4 signaling in human THP1-XBlue cells containing NF-kappaB-inducible SEAP reporter gene assessed as inhibition of LP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2016
Entry Details Article
PubMed
TargetTumor necrosis factor receptor superfamily member 1A(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50107852(CHEMBL3601196 | US9598440, 154)
Affinity DataIC50: 3.10E+4nMAssay Description:Inhibition of TNFR in human THP1-XBlue cells containing NF-kappaB-inducible SEAP reporter gene assessed as inhibition of TNFalpha-induced TNFR activa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50107852(CHEMBL3601196 | US9598440, 154)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50107852(CHEMBL3601196 | US9598440, 154)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50107852(CHEMBL3601196 | US9598440, 154)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2016
Entry Details Article
PubMed
TargetInterleukin-1 receptor-associated kinase 4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50107852(CHEMBL3601196 | US9598440, 154)
Affinity DataIC50: 13nMAssay Description:Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2019
Entry Details
Go to US Patent