BDBM50060238 (5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-5-guanidino-pentanoylamino}-5-(2-carboxy-ethyl)-4,7,15-trioxo-tetradecahydro-10,11-dithia-3a,6,14-triaza-cyclopentacyclotetradecene-13-carboxylic acid::CHEMBL113720

SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC1=O)C(O)=O

InChI Key InChIKey=NHIDKHLMNCBTKM-LLINQDLYSA-N

Data  2 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 2 hits for monomerid = 50060238   

TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50060238((5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydrox...)
Affinity DataIC50:  3.00E+4nMAssay Description:Inhibition of fluorescently labeled alpha4-beta1 positive Ramos cells binding to immobilized VCAM-1.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50060238((5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydrox...)
Affinity DataIC50:  90nMAssay Description:Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed