null

SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

InChI Key InChIKey=CVWXJKQAOSCOAB-UHFFFAOYSA-N

PDB links: 2 PDB IDs match 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 5 hits for monomerid = 50300690   

TargetInterleukin-1 receptor-associated kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50300690(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)copy SMILEScopy InChI
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to IRAK1More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN95V2PubMed
TargetInterleukin-1 receptor-associated kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50300690(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)copy SMILEScopy InChI
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for IRAK1 kinase domainMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25D8S70PubMed
TargetInterleukin-1 receptor-associated kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50300690(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)copy SMILEScopy InChI
Affinity DataIC50: 116nMAssay Description:Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2154MW8US Patent
TargetInterleukin-1 receptor-associated kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50300690(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)copy SMILEScopy InChI
Affinity DataKd: >3.00E+4nMAssay Description:Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2154MW8US Patent
TargetInterleukin-1 receptor-associated kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM50300690(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)copy SMILEScopy InChI
Affinity DataIC50: 116nMAssay Description:Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2154MW8US Patent