BDBM50505958 CHEMBL4447729::US11168095, Example 171

SMILES O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccccc12

InChI Key InChIKey=LYYWIICEGIMSTN-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 50505958   

TargetMitogen-activated protein kinase kinase kinase 5(Homo sapiens (Human))
Therachem Research Medilab

Curated by ChEMBL
LigandPNGBDBM50505958(CHEMBL4447729 | US11168095, Example 171)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of recombinant V5-tagged ASK1 (unknown origin) expressed in HEK293 cells assessed as reduction in ASK1 autophosphorylation at T838 residue...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase kinase kinase 5(Homo sapiens (Human))
Therachem Research Medilab

Curated by ChEMBL
LigandPNGBDBM50505958(CHEMBL4447729 | US11168095, Example 171)
Affinity DataIC50:  20nMAssay Description:Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase kinase kinase 5(Homo sapiens (Human))
Therachem Research Medilab

Curated by ChEMBL
LigandPNGBDBM50505958(CHEMBL4447729 | US11168095, Example 171)
Affinity DataIC50: <100nMAssay Description:Table 2: Alternatively, the protein kinase activity of the compounds described herein were tested using the ASK1/MAP3K5 assay by Reaction Biology Cor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMitogen-activated protein kinase kinase kinase 5(Homo sapiens (Human))
Therachem Research Medilab

Curated by ChEMBL
LigandPNGBDBM50505958(CHEMBL4447729 | US11168095, Example 171)
Affinity DataIC50: <100nMAssay Description:Table 1: Briefly, 20 μL aliquots of a 1.5× stock of ASK1, STK Substrate 3 and Assay Buffer were distributed in the wells of a white 384 well Opt...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMitogen-activated protein kinase kinase kinase 5(Homo sapiens (Human))
Therachem Research Medilab

Curated by ChEMBL
LigandPNGBDBM50505958(CHEMBL4447729 | US11168095, Example 171)
Affinity DataIC50:  1.78E+3nMAssay Description:Inhibition of V5 tagged human ASK1 expressed in HEK-293T cells assessed as reduction in T838 autophosphorylation incubated for 1 hrMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed