BDBM16836 (2S)-2-{[(3S)-2-(3-{[(tert-butoxy)carbonyl]amino}propanoyl)-2-azabicyclo[2.2.2]octan-3-yl]formamido}-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}propanoic acid::azabicyclo[2.2.2]octane derivative, 21

SMILES CC(C)(C)OC(=O)NCCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O

InChI Key

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 = 16836   

TargetIntegrin alpha-4/beta-1 [T112H](Human)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM16836((2S)-2-{[(3S)-2-(3-{[(tert-butoxy)carbonyl]amino}p...)
Affinity DataIC50: 9nMpH: 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 Depth
Date in BDB:
8/1/2007
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-7(Human)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM16836((2S)-2-{[(3S)-2-(3-{[(tert-butoxy)carbonyl]amino}p...)
Affinity DataIC50: 30nMT: 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 Depth
Date in BDB:
8/1/2007
Entry Details Article
PubMed