BDBM50135527 (-)-cis-rotenone::(-)-rotenone::(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one::5'beta-rotenone::Barbasco::CHEMBL429023::Canex::Noxfire::[2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one::rotenone

SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C

InChI Key InChIKey=JUVIOZPCNVVQFO-HBGVWJBISA-N

Data  11 IC50

PDB links: 13 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50135527   

LigandPNGBDBM50135527((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Affinity DataIC50:  5.10nMAssay Description:Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.More data for this Ligand-Target Pair
TargetNADH-ubiquinone oxidoreductase chain 4(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50135527((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Affinity DataIC50:  3.5nMAssay Description:The compound was evaluated for the inhibition of NADH dehydrogenaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetPancreatic triacylglycerol lipase(Sus scrofa (Pig))
Korea Atomic Energy Research Institute

Curated by ChEMBL
LigandPNGBDBM50135527((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of pig pancreatic lipase assessed as hydrolysis of p-nitrophenylbutyrate to p-nitrophenolMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Plasmodium falciparum)
Harvard School Of Public Health

Curated by ChEMBL
LigandPNGBDBM50135527((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Plasmodium falciparum DHODMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (fumarate)(Saccharomyces cerevisiae)
Harvard School Of Public Health

Curated by ChEMBL
LigandPNGBDBM50135527((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Saccharomyces cerevisiae DHODMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNADH-ubiquinone oxidoreductase chain 1(Bos taurus (Bovine))
Universidad Polit£Cnica De Valencia

Curated by ChEMBL
LigandPNGBDBM50135527((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Affinity DataIC50:  4.40nMAssay Description:Inhibition of Bos taurus (beef) heart NAD1More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50135527((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50135527((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50135527((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50135527((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Affinity DataIC50: >5.07E+5nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50135527((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed