BDBM50217422 2S,3R,20S-3-(2-{1-(3,3-dimethyl-butyryl)-5-[(4-methoxy-pyridin-2-ylamino)-methyl]-pyrrolidin-3-yloxy}-acetylamino)-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL396248

SMILES COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)CC(C)(C)C)OCC(=O)NC[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(O)=O)c1

InChI Key InChIKey=XLANGJRVQABTFO-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50217422   

TargetIntegrin alpha-5/beta-1(Human)
Jerini

Curated by ChEMBL
LigandPNGBDBM50217422(2S,3R,20S-3-(2-{1-(3,3-dimethyl-butyryl)-5-[(4-met...)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of integrin alpha-5-beta-1 receptor by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-IIb/beta-3(Human)
Jerini

Curated by ChEMBL
LigandPNGBDBM50217422(2S,3R,20S-3-(2-{1-(3,3-dimethyl-butyryl)-5-[(4-met...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of integrin alpha-2b-beta-3 receptor by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-V/beta-3(Human)
Jerini

Curated by ChEMBL
LigandPNGBDBM50217422(2S,3R,20S-3-(2-{1-(3,3-dimethyl-butyryl)-5-[(4-met...)
Affinity DataIC50: 4nMAssay Description:Inhibition of integrin alpha-V-beta-3 receptor by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-V/beta-5(Human)
Jerini

Curated by ChEMBL
LigandPNGBDBM50217422(2S,3R,20S-3-(2-{1-(3,3-dimethyl-butyryl)-5-[(4-met...)
Affinity DataIC50: 29nMAssay Description:Inhibition of integrin alpha-V-beta-5 receptor by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed