BDBM50254206 2-((3S,6R,11R,14R,20S,28aS)-11-amino-6-carbamoyl-20-(3-chlorobenzyl)-27-hydroxy-3-((R)-1-hydroxyethyl)-1,4,12,15,18,21,24-heptaoxohexacosahydropyrrolo[2,1-j][1,2,5,8,11,14,17,20,23]dithiaheptaazacyclohexacosin-14-yl)acetic acid::CHEMBL2372228

SMILES [H][C@@]12C[C@@H](O)CN1C(=O)CNC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)C(N)=O

InChI Key InChIKey=IRMVDKNLFHPSQA-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50254206   

TargetIntegrin alpha-3(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50254206(2-((3S,6R,11R,14R,20S,28aS)-11-amino-6-carbamoyl-2...)
Affinity DataIC50: 220nMAssay Description:Binding affinity to integrin alpha3 expressed in human MDA-MB-231 cells by flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed