BDBM50380113 CHEMBL2013109

SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6@@H]-1-[#8]-[#6](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6@H](-[#8]-[#6](-[#6])=O)-[#6@@H]-1-[#8]-[#6](-[#6])=O)-n1cc(-[#6]-[#8]-c2ccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6@@H]-3-[#16]-[#6]-[#6@@H]-4-[#7]-[#6](=O)-[#7]-[#6@H]-3-4)-[#6](-[#8])=O)cc2)nn1

InChI Key InChIKey=SUEHAOVVHGWIJQ-ZVVSYUAGSA-N

Data  1 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 1 hit for monomerid = 50380113   

TargetIntegrin alpha-4/beta-7(Mus musculus)
University Of Auckland

Curated by ChEMBL
LigandPNGBDBM50380113(CHEMBL2013109)
Affinity DataIC50:  5.00E+4nMAssay Description:Inhibition of integrin alpha4 beta7 receptor in mouse TK1 cells assessed as inhibition of Mn2+-activated cell adhesion to mouse MAdCAM-1-Fc after 1 h...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed