BDBM50145392 (S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-{2-[(1R,5R)-3-(4-hydroxy-3-methoxy-benzyl)-4-methoxycarbonylmethyl-2-oxo-[1,3]oxazinan-6-yl]-ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester::CHEMBL314245

SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)OC)N(Cc4ccc(O)c(OC)c4)C(=O)O3)[C@@H]12

InChI Key InChIKey=DLXSYTAQBCLTQI-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 = 50145392   

TargetIntegrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50145392((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-{2-[...)
Affinity DataIC50: 120nMAssay Description:Inhibition of HUT78 cell adhesion to immobilized ICAM-1 proteinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50145392((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-{2-[...)
Affinity DataIC50: 50nMAssay Description:In vitro inhibition of recombinant ICAM-1 binding to purified immobilized LFA-1 using cell-free assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed