BDBM50591917 CHEBI:69527::RUBIARBONONE C::Rubiarbonone C

SMILES [H][C@]12[C@H](O)C[C@@H](C(C)C)[C@]1(COC(C)=O)CC[C@@]1(C)[C@]3([H])[C@@H](O)C[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]21C

InChI Key InChIKey=NKSVARYCVTXDAJ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50591917   

TargetCytochrome P450 4F2(Human)
University of Wuppertal

Curated by ChEMBL
LigandPNGBDBM50591917(CHEBI:69527 | Rubiarbonone C | RUBIARBONONE C)
Affinity DataIC50: 4.20E+3nMAssay Description:Inhibition of recombinant CYP4F2 (unknown origin) incubated for 5 to 15 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed