BDBM50088996 (5S,8R,13R,15aS)-8-[(Adamantane-1-carbonyl)-amino]-5-methyl-7,15-dioxo-tetradecahydro-10,11-dithia-3a,6,14-triaza-cyclopentacyclotetradecene-13-carboxylic acid::CHEMBL425515

SMILES C[C@H]1CN2CCC[C@H]2C(=O)N[C@@H](CSSC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N1)C(O)=O

InChI Key

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 = 50088996   

TargetIntegrin alpha-4/beta-1(Human)
Celltech Chiroscience

Curated by ChEMBL
LigandPNGBDBM50088996((5S,8R,13R,15aS)-8-[(Adamantane-1-carbonyl)-amino]...)
Affinity DataIC50: 330nMAssay Description:Inhibition of VCAM (vascular cell adhesion molecule) adhesion to alpha4-beta1 integrin of leukocyte cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed