BDBM50308725 2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-8-{[4-({3-[(2-{[(E)-{[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-10-yl]methylidene}amino]oxy}ethyl)carbamoyl]propanamido}methyl)phenyl]methyl}-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid::CHEMBL590715

SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(\[#6]=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#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]-5=O)cc4)c3-[#6]-n1c2=O

InChI Key InChIKey=RUUXOWOHEJZKAR-IAKHXZQESA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50308725   

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

Curated by ChEMBL
LigandPNGBDBM50308725(2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...)
Affinity DataIC50: >1.00E+5nMAssay 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 DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Istituto Di Ricerche Chimiche E Biochimiche G. Ronzoni

Curated by ChEMBL
LigandPNGBDBM50308725(2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...)
Affinity DataIC50:  5.40E+3nMAssay Description:Inhibition of integrin alphaVbeta3 receptor-mediated adhesion of human A498 cells to vitronectin after 1 hr by toluidine blue stainingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Istituto Di Ricerche Chimiche E Biochimiche G. Ronzoni

Curated by ChEMBL
LigandPNGBDBM50308725(2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...)
Affinity DataIC50:  7.30nMAssay Description:Displacement of [125I]echistatin from integrin alphaVbeta3 receptor after 3 hrs by gamma countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-5(Homo sapiens (Human))
Istituto Di Ricerche Chimiche E Biochimiche G. Ronzoni

Curated by ChEMBL
LigandPNGBDBM50308725(2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...)
Affinity DataIC50:  8.40nMAssay Description:Displacement of [125I]echistatin from integrin alphaVbeta5 receptor after 3 hrs by gamma countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-5(Homo sapiens (Human))
Istituto Di Ricerche Chimiche E Biochimiche G. Ronzoni

Curated by ChEMBL
LigandPNGBDBM50308725(2-[(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopr...)
Affinity DataIC50:  5.40E+3nMAssay Description:Inhibition of integrin alphaVbeta5 receptor-mediated adhesion of human A498 cells to vitronectin after 1 hr by toluidine blue stainingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed