BDBM123776 (2S)-1-(2-{[(1r,3s,5R,7S)-3-hydroxyadamantan-1- yl]amino}acetyl)pyrrolidine-2-carbonitrile (11)

SMILES O[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)NCC(=O)N1CCC[C@H]1C#N

InChI Key InChIKey=SYOKIDBDQMKNDQ-NHMCJKAESA-N

Data  1 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 123776   

TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123776((2S)-1-(2-{[(1r,3s,5R,7S)-3-hydroxyadamantan-1- yl...)
Affinity DataIC50:  3.5nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair