BDBM50161873 CHEMBL437624::E[c(RGDyK)]2-PTX conjugate

SMILES CC(=O)O[C@@H]1C2=C(C)C(C[C@@](O)([C@@H](OC(=O)c3ccccc3)C3[C@@]4(COC4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@@H](OCCC(=O)NC(CCC(=O)NCCCC[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)NCCCCC1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC1=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1

InChI Key InChIKey=YUHVDRZERRVMDC-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 = 50161873   

TargetIntegrin alpha-V/beta-3(Human)
University of Southern California

Curated by ChEMBL
LigandPNGBDBM50161873(E[c(RGDyK)]2-PTX conjugate | CHEMBL437624)
Affinity DataIC50: 134nMAssay Description:Inhibition of human metastatic breast cancer (MDA-MB-435) cell proliferationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed