BDBM50265536 2-((2R,8R,11R,14S)-11-((5R,8S,11R,17R,20S,23R,26S)-11-((1H-imidazol-4-yl)methyl)-23-((1H-indol-3-yl)methyl)-26-(3-amino-3-oxopropyl)-5-carbamoyl-38-(1-(4-fluorophenyl)-1-oxo-5,8,11-trioxa-2-azatridecanamido)-8-isobutyl-17-isopropyl-20-methyl-7,10,13,16,19,22,25,28,35,39-decaoxo-2-thia-6,9,12,15,18,21,24,27,34,40-decaazatetratetracontan-44-yl)-8-(3-guanidinopropyl)-14-(4-hydroxybenzyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid::CHEMBL500471

SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCNC(=O)CCC(NC(=O)COCCOCCOCCNC(=O)c4ccc(F)cc4)C(=O)NCCCC[C@H]5NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc6ccc(O)cc6)NC5=O)C(C)C)C(N)=O

InChI Key InChIKey=DOYWSGYUIHABGZ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50265536   

TargetIntegrin alpha-V(Human)
Stanford University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50265536(2-((2R,8R,11R,14S)-11-((5R,8S,11R,17R,20S,23R,26S)...)
Affinity DataIC50: 13.8nMAssay Description:Displacement of [125I]c(RGDyK) form integrin alphaVbeta3 receptor in human U87MG cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetIntegrin alpha-V(Human)
Stanford University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50265536(2-((2R,8R,11R,14S)-11-((5R,8S,11R,17R,20S,23R,26S)...)
Affinity DataIC50: 73.3nMAssay Description:Displacement of [125I][Tyr4]BBN form integrin alphaVbeta3 receptor in human PC3 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed