BDBM27918 (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetamido)-octahydrocyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::Azabicyclooctane scaffold, 14a

SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@H]12)C(C)(C)C

InChI Key InChIKey=BGWQMUKSEXDJIL-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 27918   

LigandPNGBDBM27918((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetam...)
Affinity DataKi:  82nM ΔG°:  -9.56kcal/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
In Depth
Date in BDB:
4/6/2009
Entry Details Article
PubMed
LigandPNGBDBM27918((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetam...)
Affinity DataKi:  129nMAssay 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
In Depth
Date in BDB:
4/6/2009
Entry Details Article
PubMed
LigandPNGBDBM27918((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetam...)
Affinity DataKi:  570nMAssay 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
In Depth
Date in BDB:
4/6/2009
Entry Details Article
PubMed