BDBM27922 Azabicyclooctane scaffold, 14e::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide

SMILES [H][C@]12CC[C@H](NC(=O)c3c(OC)ccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C

InChI Key InChIKey=KULASWCGDWKFRQ-WSXGSKLPSA-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 = 27922   

TargetE3 ubiquitin-protein ligase XIAP [241-356](Homo sapiens (Human))
Genentech

LigandPNGBDBM27922(Azabicyclooctane scaffold, 14e | N-[(3aR,6S,6aS)-1...)
Affinity DataKi:  110nMAssay Description:Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
LigandPNGBDBM27922(Azabicyclooctane scaffold, 14e | N-[(3aR,6S,6aS)-1...)
Affinity DataKi:  110nM ΔG°:  -9.39kcal/molepH: 7.2 T: 2°CAssay Description:Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed