BDBM50235980 2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid::CHEMBL429876::CILENGITIDE::EMD-12192::EMD-121974::[(2S,5R,8S,11S)-5-benzyl-11-(3-guanidino-propyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid::c(RGDfMeV)::cyclo(Arg-Gly-Asp-D-Phe-[N-Me]Val)

SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#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=AMLYAMJWYAIXIA-VWNVYAMZSA-N

Data  1 KI  50 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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50235980   

TargetIntegrin alpha-V/beta-5(Homo sapiens (Human))
Department Of Organic Chemistry Ugo Schiff University Of Firenze Via Della Lastruccia 13

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Affinity DataIC50:  0.130nMAssay Description:Displacement of [125I]Echistatin from human placental integrin alpha-V-beta-5 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Department Of Organic Chemistry Ugo Schiff University Of Firenze Via Della Lastruccia 13

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Affinity DataIC50:  18.9nMAssay Description:Displacement of [125I]echistatin from human placental integrin alphaVbeta3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed