BDBM16867 (2S)-2-{[(3S)-2-(benzenesulfonyl)-2-azabicyclo[2.2.2]octan-3-yl]formamido}-3-{4-[(2,6-dichlorobenzene)amido]phenyl}propanoic acid::CHEMBL156019::azabicyclo[2.2.2]octane derivative, 5

SMILES OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1

InChI Key InChIKey=MBWMZHLHDZJOJJ-UHFFFAOYSA-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 = 16867   

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

LigandPNGBDBM16867(CHEMBL156019 | (2S)-2-{[(3S)-2-(benzenesulfonyl)-2...)
Affinity DataIC50: 19nMT: 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

LigandPNGBDBM16867(CHEMBL156019 | (2S)-2-{[(3S)-2-(benzenesulfonyl)-2...)
Affinity DataIC50: 94nMT: 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-1(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM16867(CHEMBL156019 | (2S)-2-{[(3S)-2-(benzenesulfonyl)-2...)
Affinity DataIC50: 19nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed