BDBM858 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 23::benzyl N-[(1S)-1-{[(1S,2S)-1-[(13R,16R)-12,15-dioxo-13-(propan-2-yl)-2,5,8-trioxa-11,14,17-triazabicyclo[17.2.2]tricosa-1(21),19,22-trien-16-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}-2-methylpropyl]carbamate

SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2

InChI Key InChIKey=BOMYVDPSYNOFDI-KCVBXHHVSA-N

Data  2 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 2 hits for monomerid = 858   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Sandoz Research Institute

LigandPNGBDBM858(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 23 |...)
Affinity DataKi:  6.90nM ΔG°:  -11.6kcal/molepH: 6.25 T: 2°CAssay Description:Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [514-612](Human immunodeficiency virus type 2)
Sandoz Research Institute

LigandPNGBDBM858(1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 23 |...)
Affinity DataKi:  27nM ΔG°:  -10.7kcal/molepH: 4.7 T: 2°CAssay Description:Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed