BDBM50291323 (S)-3-((S)-2-Acetylamino-4-methyl-pentanoylamino)-N-{(1S,2R)-1-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-2-hydroxy-ethylcarbamoyl]-2-hydroxy-propyl}-succinamic acid::3-{1-[1-(1-carbamoyl-3-methylbutylcarbamoyl)-2-hydroxyethylcarbamoyl]-2-hydroxypropylcarbamoyl}-3-(3-methyl-1-methylcarboxamidobutylcarboxamido)propanoic acid::CHEMBL310968

SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(N)=O

InChI Key InChIKey=YSKMLHLBAHWLQS-KQFIUFIBSA-N

Data  1 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 1 hit for monomerid = 50291323   

TargetMucosal addressin cell adhesion molecule 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50291323((S)-3-((S)-2-Acetylamino-4-methyl-pentanoylamino)-...)
Affinity DataIC50:  2.98E+5nMAssay Description:The concentration of compound required to prevent 50 percent of cells from adhering to MAdCAM-1More data for this Ligand-Target Pair
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