BDBM50283157 2-[21-[2-[3-(tert-butylcarbamoyl)-(3S,4aS,8aS)-perhydro-2-isoquinolinyl]-1-hydroxy-(1R)-ethyl]-16,19-dioxo-(18S,21S)-2,5-dioxa-17,20-diazatetracyclo[21.2.2.06,15.08,13]heptacosa-1(25),6,8,10,12,14,23,26-octaen-18-yl]acetamide::CHEMBL431754

SMILES CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)[C@@H]1Cc2ccc(OCCOc3cc4ccccc4cc3C(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2

InChI Key InChIKey=BXXKSGNCOZTWCZ-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 = 50283157   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM50283157(2-[21-[2-[3-(tert-butylcarbamoyl)-(3S,4aS,8aS)-per...)
Affinity DataIC50: 13nMAssay Description:In vitro inhibition HIV-1 IIIB protease.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article