BDBM13930 (2S)-N-tert-butyl-1-[(2R)-2-[(8S,11S)-8-(carbamoylmethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxyethyl]piperidine-2-carboxamide::Macrocyclic Peptidomimetic Inhibitor 4::Peptidomimetic inhibitor 4

SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2

InChI Key InChIKey=GHEDXAXQQMZPLE-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 13930   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Pennsylvania

LigandPNGBDBM13930(Peptidomimetic inhibitor 4 | (2S)-N-tert-butyl-1-[...)
Affinity DataIC50: 0.600nMpH: 5.5 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2004
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
University of Queensland

LigandPNGBDBM13930(Peptidomimetic inhibitor 4 | (2S)-N-tert-butyl-1-[...)
Affinity DataKi:  5nM ΔG°:  -11.8kcal/molepH: 6.5 T: 2°CAssay Description:he Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2007
Entry Details Article
PubMed