BDBM50237601 CHEMBL411941::CycloRGDfV::[(2S,5R,8S,11S)-5-Benzyl-11-(3-guanidino-propyl)-8-isopropyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid::[5-Benzyl-11-(3-guanidino-propyl)-8-isopropyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid(Cyclo (RGDfV))::c(RGDfV)::c-[-Arg-Gly-Asp-fV-]::c[Arg-Gly-Asp-(R)-Phe-Val]::cyclo(Arg-Gly-Asp-D-Phe-Val)

SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O

InChI Key InChIKey=YYQUWEHEBOMRPH-NYUBLWNDSA-N

Data  29 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50237601   

TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50237601(CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...)
Affinity DataIC50:  3.20nMAssay Description:Displacement of biotinylated vitronectin from human integrin alphaVbeta3 measured after 3 hrs by solid-phase receptor binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed