BDBM50478885 escin Ia

SMILES [H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]([H])(O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C4[C@]6([H])CC(C)(C)[C@@H](OC(=O)C(\C)=C\C)[C@H](OC(C)=O)[C@]6(CO)[C@H](O)C[C@@]54C)[C@@]3(C)CO)O[C@@H]2C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key InChIKey=AXNVHPCVMSNXNP-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50478885   

TargetProtease(Human immunodeficiency virus type 1)
Beijing Medical University

Curated by ChEMBL
LigandPNGBDBM50478885(escin Ia)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2020
Entry Details Article
PubMed