BDBM17224 (2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2.2]octan-3-yl]formamido}-3-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]propanoic acid::2-azabicyclo[2.2.2]octane-based antagonist, 12::CHEMBL446631

SMILES OC(=O)[C@H](Cc1ccc(cc1)N1C(=O)c2ccccc2C1=O)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1

InChI Key InChIKey=JZFJNTFYXXDWCM-KFFAGCAXSA-N

Data  3 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 3 hits for monomerid = 17224   

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

LigandPNGBDBM17224((2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2...)
Affinity DataIC50:  26nMpH: 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
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM17224((2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2...)
Affinity DataIC50:  26nMAssay Description:In vitro inhibition of binding of integrin alpha4-beta1 to immobilized VCAM-1 expressed on endothelial cell surface.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM17224((2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2...)
Affinity DataIC50:  110nMpH: 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