BDBM50225992 CHEMBL237901::[(2S,5R,8S,14S)-5-benzyl-14-(3-guanidino-propyl)-8-isobutyl-4-methyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16hexaaza-cyclooctadec-2-yl]-acetic acid

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

InChI Key InChIKey=YMUBVNOOHWSKFS-MYGLTJDJSA-N

Data  3 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 3 hits for monomerid = 50225992   

TargetIntegrin alpha-IIb/beta-3(Human)
Technische UniversitäT MüNchen

Curated by ChEMBL
LigandPNGBDBM50225992(CHEMBL237901 | [(2S,5R,8S,14S)-5-benzyl-14-(3-guan...)
Affinity DataIC50:  2.00E+3nMAssay Description:Binding affinity to integrin alpha2bbeta3 receptor by solid phase binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIntegrin alpha-V/beta-3(Human)
Technische UniversitäT MüNchen

Curated by ChEMBL
LigandPNGBDBM50225992(CHEMBL237901 | [(2S,5R,8S,14S)-5-benzyl-14-(3-guan...)
Affinity DataIC50:  490nMAssay Description:Binding affinity to integrin alphavbeta3 receptor by solid phase binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetIntegrin alpha-5/beta-1(Human)
Technische UniversitäT MüNchen

Curated by ChEMBL
LigandPNGBDBM50225992(CHEMBL237901 | [(2S,5R,8S,14S)-5-benzyl-14-(3-guan...)
Affinity DataIC50:  4.30E+3nMAssay Description:Binding affinity to integrin alpha5beta1 receptor by solid phase binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed