BDBM16848 (2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-2-{[(3S)-2-[2-(3,5-dimethoxyphenyl)acetyl]-2-azabicyclo[2.2.2]octan-3-yl]formamido}propanoic acid::azabicyclo[2.2.2]octane derivative, 33

SMILES COc1cc(CC(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)cc(OC)c1

InChI Key InChIKey=LKXIKAPJFRPKFK-FBTLBYJRSA-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 = 16848   

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

LigandPNGBDBM16848((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Affinity DataIC50:  140nMT: 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

LigandPNGBDBM16848((2S)-3-{4-[(3,5-dichloropyridine-4-)amido]phenyl}-...)
Affinity DataIC50:  23nMpH: 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