BDBM11912 (2S)-2-amino-N-(cyanomethyl)-2-(3,5-dihydroxyadamantan-1-yl)-N-methylacetamide::seco-proline-based inhibitor 28

SMILES [H][C@@](N)(C(=O)N(C)CC#N)[C@@]12CC3CC(O)(CC(O)(C3)C1)C2

InChI Key

Data  1 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 1 hit for monomerid = 11912   

TargetDipeptidyl peptidase 4(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM11912((2S)-2-amino-N-(cyanomethyl)-2-(3,5-dihydroxyadama...)
Affinity DataKi:  23nM ΔG°:  -10.3kcal/molepH: 7.4 T: 2°CAssay Description:Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2006
Entry Details Article
PubMed