BDBM50442880 4-Epi-Hederagenin::Hederagenin::US11660306, Example Hederagenin

SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O

InChI Key InChIKey=PGOYMURMZNDHNS-MYPRUECHSA-N

Data  4 KI  14 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 4 hits for monomerid = 50442880   

TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Osaka University

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human recombinant 5-LOX expressed in insect cells assessed as decrease in production of 5-HPETE and 5-HETE using arachidonic acid as su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15B(Homo sapiens (Human))
Osaka University

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human recombinant N-terminal His-tagged 15-LOX2 expressed in Escherichia coli using arachidonic acid as substrate preincubated for 5 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Osaka University

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human recombinant 5-LOX expressed in insect cells assessed as decrease in production of 5-HPETE and 5-HETE using arachidonic acid as su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid lipoxygenase ALOX15B(Homo sapiens (Human))
Osaka University

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human recombinant N-terminal His-tagged 15-LOX2 expressed in Escherichia coli using arachidonic acid as substrate preincubated for 5 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed