BDBM796 Macrocycle-containing Compound 9b::tert-butyl N-[(7S,10S,13S)-13-[(1R)-2-[(4-acetamidobenzene)(3-methylbutyl)sulfonamido]-1-hydroxyethyl]-8,11-dioxo-10-(propan-2-yl)-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-7-yl]carbamate

SMILES CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(NC(C)=O)cc1

InChI Key InChIKey=QQMKKKSPIWRIDH-KMSCUOMXSA-N

Data  1 KI

  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 1 hit for monomerid = 796   

TargetDimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B](Human immunodeficiency virus type 1)
University of Queensland

LigandPNGBDBM796(Macrocycle-containing Compound 9b | tert-butyl N-[...)
Affinity DataKi:  2nM ΔG°:  -12.3kcal/molepH: 6.5 T: 2°CAssay Description:Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed