BDBM17225 (2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2.2]octan-3-yl]formamido}-3-{4-[(dimethylcarbamoyl)oxy]phenyl}propanoic acid::2-azabicyclo[2.2.2]octane-based antagonist, 1

SMILES CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2C3CCC(CC3)N2S(=O)(=O)c2ccccc2)C(O)=O)cc1

InChI Key InChIKey=UAZFWDIWFPZQGH-SAVSZJDKSA-N

Data  2 IC50

  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 = 17225   

TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM17225((2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2...)
Affinity DataIC50:  440nMpH: 7.4 T: 2°CAssay Description:M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1 [T112H](Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM17225((2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2...)
Affinity DataIC50:  39nMpH: 7.4 T: 2°CAssay Description: Immulon 96-well plates were coated with recombinant hVCAM-1 overnight at 4 C. Plates were washed and blocked for 1 h at room temperature in PBS-BSA....More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed