BDBM50246769 CHEMBL4064608

SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12

InChI Key InChIKey=DJVYXMINSBMUHH-QAQDUYKDSA-N

Data  22 IC50  4 Kd

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 26 hits for monomerid = 50246769   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50:  4nMAssay Description:Inhibition of recombinant human full-length His-tagged IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of Nav1.5 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily D member 3(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of Kv4.3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50:  5nMAssay Description:Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected Sf21 insect cellsMore data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataKd:  0.700nMAssay Description:Binding affinity to wild type human IRAK4 (M1 to S460) expressed in mammalian expression systemMore data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase-like 2(Homo sapiens)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataKd:  170nMAssay Description:Binding affinity wild type human IRAK2 (T180 to T519) expressed in mammalian expression systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterleukin-1 receptor-associated kinase 1(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50:  23nMAssay Description:Inhibition of recombinant N-terminal His6-tagged human IRAK1 (194 end residues) expressed in baculovirus infected Sf21 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50:  50nMAssay Description:Inhibition of recombinant N-terminal His6-tagged human CLK1 (130 end residues) expressed in baculovirus infected Sf21 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50:  5nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human CLK2 (138 end residues) expressed in baculovirus infected Sf21 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase CLK3(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of recombinant full length N-terminal His6-tagged human CLK3 expressed in baculovirus infected Sf21 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase haspin(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50:  4nMAssay Description:Inhibition of recombinant N-terminal His6-tagged human haspin (471 end residues) expressed in baculovirus infected Sf21 insect cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human hERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily E member 1(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of IKs (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterleukin-1 receptor-associated kinase 3(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataKd:  93nMAssay Description:Binding affinity wild type human IRAK3 (V147 to E596) expressed in bacterial expression systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterleukin-1 receptor-associated kinase 1(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataKd:  26nMAssay Description:Binding affinity to wild type human IRAK1 (R194 to S712) expressed in mammalian expression systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase CLK4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50:  8nMAssay Description:Inhibition of recombinant full length N-terminal GST-tagged human CLK4 (128 end residues) expressed in baculovirus infected Sf21 insect cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50:  5nMAssay Description:Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50:  52nMAssay Description:Inhibition of IRAK4 in human KARPAS299 cells assessed as reduction in IL-1 stimulated IRAK4 phosphorylation at Thr345/Ser346 residues preincubated fo...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50:  51nMAssay Description:Inhibition of IRAK4 (unknown origin)More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 1(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50:  63nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged IRAK1 (194 to 712 residues) expressed in baculovirus expression system using 5-FAM-KKKVSRSGLYRS...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterleukin-1 receptor-associated kinase 3(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50:  27nMAssay Description:Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50246769(CHEMBL4064608)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed