BDBM16885 (3S)-3-{[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-3-[(2S)-2-[1-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetamido]hexanamido]propanoic acid::Nle-D-I - based peptidomimetic ligand, 18

SMILES CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(N)=O

InChI Key InChIKey=TWNLPZBPDKRBGW-KFZSMJGVSA-N

Data  1 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 1 hit for monomerid = 16885   

TargetIntegrin alpha-4/beta-1 [T112H](Homo sapiens (Human))
University of California Davis

LigandPNGBDBM16885((3S)-3-{[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-...)
Affinity DataIC50:  0.600nMAssay Description:Binding affinities (IC50) of the ligands were studied in a Jurkat cell adhesion assay by inhibiting the alpha-4/beta-1 mediated cell adhesion to CS-1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed