BDBM50283154 3N-(tert-butyl)-2-{2-hydroxy-2-[19-isopropyl-17,20-dioxo-(19S,22S)-2,6-dioxa-18,21-diazatetracyclo[22.2.2.07,16.09,14]octacosa-1(26),7,9,11,13,15,24,27-octaen-22-yl]ethyl}-(3S,4aS,8aS)-perhydro-3-isoquinolinecarboxamide::CHEMBL305466

SMILES CC(C)[C@@H]1NC(=O)c2cc3ccccc3cc2OCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN1CC3CCCCC3C[C@H]1C(=O)NC(C)(C)C)cc2

InChI Key InChIKey=ZABNQKMXHNVFGT-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 = 50283154   

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

Curated by ChEMBL
LigandPNGBDBM50283154(3N-(tert-butyl)-2-{2-hydroxy-2-[19-isopropyl-17,20...)
Affinity DataIC50: 5.5nMAssay 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