BDBM50283153 2-[23-[2-[3-(tert-butylcarbamoyl)-(3S,4aS,8aS)-perhydro-2-isoquinolinyl]-1-hydroxy-(1R)-ethyl]-18,21-dioxo-(20S,23S)-2,7-dioxa-19,22-diazatetracyclo[23.2.2.08,17.010,15]nonacosa-1(27),8,10,12,14,16,25,28-octaen-20-yl]acetamide::CHEMBL430984

SMILES CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)[C@@H]1Cc2ccc(OCCCCOc3cc4ccccc4cc3C(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2

InChI Key InChIKey=KCGRCWANRPFPEE-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 = 50283153   

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

Curated by ChEMBL
LigandPNGBDBM50283153(2-[23-[2-[3-(tert-butylcarbamoyl)-(3S,4aS,8aS)-per...)
Affinity DataIC50: 88nMAssay 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