BDBM50393729 CHEMBL2159130

SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/CCCSC)N3C)[C@@](C)(C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O)OC

InChI Key InChIKey=HLHNWIOLRRCKAX-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50393729   

TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50393729(CHEMBL2159130)
Affinity DataIC50: 1.33E+3nMAssay Description:Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50393729(CHEMBL2159130)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed