BDBM16861 (2S)-2-{[(3S)-2-(benzylcarbamoyl)-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, 46

SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)NCc1ccccc1

InChI Key InChIKey=BWYWYRVQELOLTA-CSIAGXPTSA-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 = 16861   

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

LigandPNGBDBM16861((2S)-2-{[(3S)-2-(benzylcarbamoyl)-2-azabicyclo[2.2...)
Affinity DataIC50:  38nMT: 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

LigandPNGBDBM16861((2S)-2-{[(3S)-2-(benzylcarbamoyl)-2-azabicyclo[2.2...)
Affinity DataIC50:  72nMT: 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