BDBM50225993 CHEMBL394389::[(2S,5R,8S,14S)-5-benzyl-14-(3-guanidino-propyl)-8-isobutyl-7-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])-[#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](=O)-[#6]-[#7]-[#6]-1=O

InChI Key InChIKey=ICPNDPJUXMSYDI-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50225993   

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

Curated by ChEMBL
LigandPNGBDBM50225993([(2S,5R,8S,14S)-5-benzyl-14-(3-guanidino-propyl)-8...)
Affinity DataIC50: 103nMAssay Description:Binding affinity to integrin alpha-v-beta-3 receptor by solid phase binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetIntegrin alpha-IIb/beta-3(Human)
Technische UniversitäT MüNchen

Curated by ChEMBL
LigandPNGBDBM50225993([(2S,5R,8S,14S)-5-benzyl-14-(3-guanidino-propyl)-8...)
Affinity DataIC50: 560nMAssay Description:Binding affinity to integrin alpha-2b-beta-3 receptor by solid phase binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetIntegrin alpha-5/beta-1(Human)
Technische UniversitäT MüNchen

Curated by ChEMBL
LigandPNGBDBM50225993([(2S,5R,8S,14S)-5-benzyl-14-(3-guanidino-propyl)-8...)
Affinity DataIC50: 3.90E+3nMAssay Description:Binding affinity to integrin alpha-5-beta-1 receptor by solid phase binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed