BDBM50254205 2-((3S,6R,11R,14R,20S,28aS)-11-amino-6-carbamoyl-27-hydroxy-20-(4-hydroxy-3-nitrobenzyl)-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::CHEMBL2372227

SMILES [H][C@@]12C[C@@H](O)CN1C(=O)CNC(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)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=XPSJDORWCXYOCD-ZBPOJQCSSA-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 = 50254205   

TargetIntegrin alpha-3(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50254205(2-((3S,6R,11R,14R,20S,28aS)-11-amino-6-carbamoyl-2...)
Affinity DataIC50:  68nMAssay Description:Binding affinity to integrin alpha3 (unknown origin) expressed in human MDA-MB-231 cells by flow cytometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed