BDBM341 (3R,4S,5S,6R)-2,7-dibenzyl-4,5-dihydroxy-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-1,1-dione::3-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-propoxyphenyl)propanoic acid::3-(1,3-benzodioxole-5-carbonylamino)-3-(4-propoxyphenyl)propanoic acid::3-(piperonyloylamino)-3-(4-propoxyphenyl)propionic acid::3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-3-(4-propoxyphenyl)propanoic acid::3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(4-propoxyphenyl)propanoic acid::A2991/0126026::AC1MMNAC::MLS000085916::MLS002589693::MolPort-002-718-800::SMR000021245::ST075640::STK680249::cid_3241411

SMILES CCCOc1ccc(cc1)C(CC(O)=O)NC(=O)c1ccc2OCOc2c1

InChI Key InChIKey=JGVXLMNKLLXCII-UHFFFAOYSA-N

Data  1 EC50

  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 1 hit for monomerid = 341   

TargetIntegrin alpha-4(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM341(MLS000085916 | MLS002589693 | 3-[[1,3-benzodioxol-...)
Affinity DataEC50:  1.12E+4nMAssay Description:Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay