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  13 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50442880   

TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Ku Leuven

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataKi:  680nMAssay Description:Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1 [1-405](Homo sapiens (Human))
Cold Spring Harbor Laboratory

US Patent
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataKi:  2.00E+3nMAssay Description:Glucose in tail blood was measured using a glucometer (One-Touch Basic; Lifescan, CA). For glucose tolerance tests (GTTs), mice were fasted for 10 ho...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Ku Leuven

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataKi:  2.11E+3nMAssay Description:Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 1 [1-321](Homo sapiens (Human))
Cold Spring Harbor Laboratory

US Patent
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataKi:  3.60E+3nMAssay Description:Glucose in tail blood was measured using a glucometer (One-Touch Basic; Lifescan, CA). For glucose tolerance tests (GTTs), mice were fasted for 10 ho...More data for this Ligand-Target Pair
In DepthDetails US Patent
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
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Bac...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Soochow University

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Bac...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
TargetTissue factor(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50:  0.221nMAssay Description:Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Ku Leuven

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50:  891nMAssay Description:pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Ku Leuven

Curated by ChEMBL
LigandPNGBDBM50442880(4-Epi-Hederagenin | Hederagenin | US11660306, Exam...)
Affinity DataIC50:  3.80E+3nMAssay Description:pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed