BDBM224812 US9333197, 6alpha-Hydroxypaclitaxel

SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4[C@@H](O)[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1

InChI Key InChIKey=NDCWHEDPSFRTDA-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 224812   

TargetCytochrome P450 2C8(Human)
Gilead Sciences

US Patent
LigandPNGBDBM224812(US9333197, 6alpha-Hydroxypaclitaxel)
Affinity DataIC50: 2.16E+4nMAssay Description:Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.3%) are incubated with human liver microsomes...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2017
Entry Details
Go to US Patent