BDBM50418089 Limonin

SMILES [H][C@]12O[C@@]11[C@@](C)(CC[C@]3([H])[C@@]45COC(=O)C[C@]4([H])OC(C)(C)[C@]5([H])CC(=O)[C@@]13C)[C@@H](OC2=O)c1ccoc1

InChI Key InChIKey=BEAROWPOUPFNRD-HEZIXOHUSA-N

Data  1 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50418089   

TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50418089(Limonin)
Affinity DataKi:  2.32E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Central University Of Punjab

Curated by ChEMBL
LigandPNGBDBM50418089(Limonin)
Affinity DataIC50:  1.91E+4nMAssay Description:Inhibition of P-gp in human Caco2 cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring reduction in doxorubicin IC50 at 2....More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50418089(Limonin)
Affinity DataIC50: >4.25E+5nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50418089(Limonin)
Affinity DataIC50:  8.99nMAssay Description:Inhibition of HIV1 3B reverse transcriptase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50418089(Limonin)
Affinity DataIC50:  4.48nMAssay Description:Inhibition of HIV1 3B reverse transcriptase activity infected in human H9 cells assessed as level of p24 antigenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed