BDBM50308727 2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-8-(4-(13-hydrazinyl-3,13-dioxo-5,8,11-trioxa-2-azatridecyl)phenyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid::CHEMBL590646

SMILES [#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#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=MYCBMOUNZVUWNJ-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50308727   

TargetIntegrin alpha-V(Human)
Istituto Di Ricerche Chimiche E Biochimiche G. Ronzoni

Curated by ChEMBL
LigandPNGBDBM50308727(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Affinity DataIC50: 1.56E+4nMAssay Description:Inhibition of integrin alphaV receptor-mediated adhesion of human PC3 cells to vitronectin after 1 hr by toluidine blue stainingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetIntegrin alpha-V/beta-5(Human)
Istituto Di Ricerche Chimiche E Biochimiche G. Ronzoni

Curated by ChEMBL
LigandPNGBDBM50308727(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Affinity DataIC50: 1.18E+4nMAssay Description:Inhibition of integrin alphaVbeta5 receptor-mediated adhesion of human A2780 cells to vitronectin after 1 hr by toluidine blue stainingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetIntegrin alpha-V/beta-5(Human)
Istituto Di Ricerche Chimiche E Biochimiche G. Ronzoni

Curated by ChEMBL
LigandPNGBDBM50308727(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Affinity DataIC50: 0.650nMAssay Description:Displacement of [125I]echistatin from integrin alphaVbeta5 receptor after 3 hrs by gamma countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetIntegrin alpha-V/beta-3(Human)
Istituto Di Ricerche Chimiche E Biochimiche G. Ronzoni

Curated by ChEMBL
LigandPNGBDBM50308727(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Affinity DataIC50: 3.80nMAssay Description:Displacement of [125I]echistatin from integrin alphaVbeta3 receptor after 3 hrs by gamma countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed